elements
listlengths
1
8
nsites
int32
1
392
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
22
chemical_formula_descriptive
stringlengths
1
30
nelements
int8
1
8
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
4
12
cartesian_site_positions
listlengths
1
392
species
stringlengths
138
1.12k
species_at_sites
listlengths
1
392
last_modified
stringdate
2011-05-12 00:00:00
2025-04-16 00:00:00
elements_ratios
listlengths
1
8
stress_tensor
listlengths
3
3
energy
float64
-2,749.01
2.15
energy_corrected
float64
-2,897.4
2.15
forces
listlengths
1
392
functional
stringclasses
1 value
cross_compatibility
bool
1 class
space_group_it_number
int32
1
230
id
stringlengths
12
20
relaxation_step
int32
0
731
relaxation_number
int32
0
2
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.3625981, 0, 0 ], [ 0, 5.29121106, 0 ], [ 0, 0, 7.80571959 ] ]
agm005266583
[ [ -0.001904848471101, 3.79398526850675, 0 ], [ 2.6793942015288987, 1.49722579149325, 3.902859795 ], [ 2.6898422050331097, 1.1699387250586093, 0 ], [ 0.00854315503311, 4.1212723349413904, 3.902859795 ], [ 5.341163473638414, 1.2913914376301994, 1.9610486515791692 ], [ 5.341163473638414, 1.2913914376301994, 5.844670938420831 ], [ 2.659864423638414, 3.9998196223698006, 5.8639084465791695 ], [ 2.659864423638414, 3.9998196223698006, 1.9418111434208305 ], [ 0.35915485965332394, 0.9225815394900978, 3.902859795 ], [ 1.0524055334205389, 5.167310791928386, 1.6096613047979957 ], [ 1.0524055334205389, 5.167310791928386, 6.196058285202004 ], [ 1.7886012870480599, 2.411809030520831, 6.325700203470086 ], [ 1.7886012870480599, 2.411809030520831, 1.4800193865299136 ], [ 2.0349161966032407, 3.810775339442342, 3.902859795 ], [ 3.0404539096533236, 4.368629520509902, 0 ], [ 3.7337045834205385, 0.12390026807161442, 2.293198490202004 ], [ 3.7337045834205385, 0.12390026807161442, 5.512521099797996 ], [ 4.46990033704806, 2.8794020294791696, 2.4228404084700865 ], [ 4.46990033704806, 2.8794020294791696, 5.382879181529913 ], [ 4.71621524660324, 1.4804357205576582, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.60180982, 0, 0 ], [ 0, 0.14222957, 0 ], [ 0, 0, 0.29401239 ] ]
-121.457881
-136.253881
[ [ 0.01017358, -0.00499427, 0 ], [ 0.01017358, 0.00499427, 0 ], [ 0.01020958, 0.007365, 0 ], [ 0.01020958, -0.007365, 0 ], [ -0.00508612, 0.0026377, -0.0063609 ], [ -0.00508612, 0.0026377, 0.0063609 ], [ -0.00508612, -0.0026377, -0.0063609 ], [ -0.00508612, -0.0026377, 0.0063609 ], [ -0.01080497, -0.00996099, 0 ], [ -0.00693044, 0.01065937, 0.01215316 ], [ -0.00693044, 0.01065937, -0.01215316 ], [ 0.00523298, -0.00198331, -0.0009567 ], [ 0.00523298, -0.00198331, 0.0009567 ], [ 0.00398898, -0.00385544, 0 ], [ -0.01080497, 0.00996099, 0 ], [ -0.00693044, -0.01065937, -0.01215316 ], [ -0.00693044, -0.01065937, 0.01215316 ], [ 0.00523298, 0.00198331, -0.0009567 ], [ 0.00523298, 0.00198331, 0.0009567 ], [ 0.00398898, 0.00385544, 0 ] ]
pbe
true
31
agm005266583-pbe-27
27
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36250292, 0, 0 ], [ 0, 5.29155155, 0 ], [ 0, 0, 7.80844347 ] ]
agm005266583
[ [ -0.0008573033418204, 3.7946554346815518, 0 ], [ 2.6803941566581795, 1.4968961153184481, 3.904221735 ], [ 2.690835700593828, 1.1700600472397062, 0 ], [ 0.0095842405938284, 4.1214915027602945, 3.904221735 ], [ 5.34110787397493, 1.2918131981071095, 1.9617375070319896 ], [ 5.34110787397493, 1.2918131981071095, 5.846705962968011 ], [ 2.65985641397493, 3.9997383518928906, 5.865959242031989 ], [ 2.65985641397493, 3.9997383518928906, 1.9424842279680106 ], [ 0.357701467276264, 0.9217086421591726, 3.904221735 ], [ 1.0510622625763655, 5.16691540310161, 1.6122488339748582 ], [ 1.0510622625763655, 5.16691540310161, 6.196194636025142 ], [ 1.7890207424108808, 2.4113700952829453, 6.327976565201811 ], [ 1.7890207424108808, 2.4113700952829453, 1.4804669047981887 ], [ 2.0359067303456952, 3.8101623794143427, 3.904221735 ], [ 3.038952927276264, 4.369842907840828, 0 ], [ 3.732313722576366, 0.12463614689839, 2.291972901025142 ], [ 3.732313722576366, 0.12463614689839, 5.516470568974858 ], [ 4.4702722024108805, 2.880181454717055, 2.4237548302018115 ], [ 4.4702722024108805, 2.880181454717055, 5.384688639798189 ], [ 4.717158190345695, 1.4813891705856577, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.01947108, 0, 0 ], [ 0, -0.52667988, 0 ], [ 0, 0, -0.22728167 ] ]
-121.458133
-136.254133
[ [ 0.00215069, -0.00374153, 0 ], [ 0.00215069, 0.00374153, 0 ], [ 0.01229182, 0.00917631, 0 ], [ 0.01229182, -0.00917631, 0 ], [ -0.00439712, 0.00132943, -0.00545823 ], [ -0.00439712, 0.00132943, 0.00545823 ], [ -0.00439712, -0.00132943, -0.00545823 ], [ -0.00439712, -0.00132943, 0.00545823 ], [ -0.00585106, -0.00513392, 0 ], [ -0.00646505, 0.00727469, 0.0073657 ], [ -0.00646505, 0.00727469, -0.0073657 ], [ 0.00491293, 0.0006562, -0.0009259 ], [ 0.00491293, 0.0006562, 0.0009259 ], [ 0.00330702, -0.00415387, 0 ], [ -0.00585106, 0.00513392, 0 ], [ -0.00646505, -0.00727469, -0.0073657 ], [ -0.00646505, -0.00727469, 0.0073657 ], [ 0.00491293, -0.0006562, -0.0009259 ], [ 0.00491293, -0.0006562, 0.0009259 ], [ 0.00330702, 0.00415387, 0 ] ]
pbe
true
31
agm005266583-pbe-28
28
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36248137, 0, 0 ], [ 0, 5.29162863, 0 ], [ 0, 0, 7.80906008 ] ]
agm005266583
[ [ -0.0006201709704405001, 3.794807123444138, 0 ], [ 2.6806205140295596, 1.496821506555862, 3.90453004 ], [ 2.691060621759185, 1.170087568479915, 0 ], [ 0.009819936759185102, 4.121541061520085, 3.90453004 ], [ 5.341095258048303, 1.2919086911528874, 1.9618934348974384 ], [ 5.341095258048303, 1.2919086911528874, 5.847166645102561 ], [ 2.659854573048303, 3.9997199388471127, 5.866423474897439 ], [ 2.659854573048303, 3.9997199388471127, 1.9426366051025616 ], [ 0.35737243581386074, 0.9215110381853542, 3.90453004 ], [ 1.0507581687711762, 5.166825886259168, 1.6128345403883009 ], [ 1.0507581687711762, 5.166825886259168, 6.196225539611699 ], [ 1.7891157082402322, 2.4112707075856226, 6.3284918851697025 ], [ 1.7891157082402322, 2.4112707075856226, 1.4805681948302967 ], [ 2.0361309587001784, 3.8100236248999932, 3.90453004 ], [ 3.038613120813861, 4.370117591814646, 0 ], [ 3.731998853771177, 0.1248027437408322, 2.291695499611699 ], [ 3.731998853771177, 0.1248027437408322, 5.517364580388301 ], [ 4.470356393240232, 2.8803579224143774, 2.4239618451697034 ], [ 4.470356393240232, 2.8803579224143774, 5.385098234830298 ], [ 4.7173716437001785, 1.4816050051000067, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.17091699, 0, 0 ], [ 0, -0.72745446, 0 ], [ 0, 0, -0.40492141 ] ]
-121.458161
-136.254161
[ [ 0.00017331, -0.00345685, 0 ], [ 0.00017331, 0.00345685, 0 ], [ 0.01201955, 0.01050623, 0 ], [ 0.01201955, -0.01050623, 0 ], [ -0.00421388, 0.00127866, -0.0057804 ], [ -0.00421388, 0.00127866, 0.0057804 ], [ -0.00421388, -0.00127866, -0.0057804 ], [ -0.00421388, -0.00127866, 0.0057804 ], [ -0.00413605, -0.00376208, 0 ], [ -0.00605987, 0.00671987, 0.00572829 ], [ -0.00605987, 0.00671987, -0.00572829 ], [ 0.00469529, 0.00129443, -0.0007875 ], [ 0.00469529, 0.00129443, 0.0007875 ], [ 0.00310013, -0.00411825, 0 ], [ -0.00413605, 0.00376208, 0 ], [ -0.00605987, -0.00671987, -0.00572829 ], [ -0.00605987, -0.00671987, 0.00572829 ], [ 0.00469529, -0.00129443, -0.0007875 ], [ 0.00469529, -0.00129443, 0.0007875 ], [ 0.00310013, 0.00411825, 0 ] ]
pbe
true
31
agm005266583-pbe-29
29
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.32839676, 0, 0 ], [ 0, 5.36395717, 0 ], [ 0, 0, 7.72018763 ] ]
agm005266583
[ [ 0.0244427946052452, 3.8259852936819367, 0 ], [ 2.6886411746052454, 1.5379718763180628, 3.860093815 ], [ 2.5696597800414085, 1.11635213017757, 0 ], [ 5.233858160041409, 4.24760503982243, 3.860093815 ], [ 5.2967581254222775, 1.311302471542635, 1.934309686301781 ], [ 5.2967581254222775, 1.311302471542635, 5.785877943698219 ], [ 2.6325597454222778, 4.052654698457365, 5.7944035013017805 ], [ 2.6325597454222778, 4.052654698457365, 1.9257841286982191 ], [ 0.40890527022790524, 0.9963282781812216, 3.860093815 ], [ 1.1486054039117506, 5.3308677228118455, 1.4929284942556267 ], [ 1.1486054039117506, 5.3308677228118455, 6.227259135744373 ], [ 1.7328894185303605, 2.490424272198405, 6.253565520689846 ], [ 1.7328894185303605, 2.490424272198405, 1.4666221093101541 ], [ 1.9500557415235924, 3.8772677816827237, 3.860093815 ], [ 3.0731036502279054, 4.367628891818779, 0 ], [ 3.812803783911751, 0.0330894471881545, 2.3671653207443737 ], [ 3.812803783911751, 0.0330894471881545, 5.353022309255627 ], [ 4.39708779853036, 2.8735328978015944, 2.3934717056898456 ], [ 4.39708779853036, 2.8735328978015944, 5.326715924310154 ], [ 4.614254121523593, 1.4866893883172758, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.97513217, 0, 0 ], [ 0, -0.37603446, 0 ], [ 0, 0, 1.31340454 ] ]
-121.406875
-136.202875
[ [ -0.03540162, -0.00669317, 0 ], [ -0.03540162, 0.00669317, 0 ], [ 0.04086281, 0.03370252, 0 ], [ 0.04086281, -0.03370252, 0 ], [ 0.03328084, -0.00665298, -0.02015488 ], [ 0.03328084, -0.00665298, 0.02015488 ], [ 0.03328084, 0.00665298, -0.02015488 ], [ 0.03328084, 0.00665298, 0.02015488 ], [ 0.00585823, -0.0478785, 0 ], [ -0.06398309, 0.01025131, 0.05427313 ], [ -0.06398309, 0.01025131, -0.05427313 ], [ 0.0246134, -0.03059077, 0.008395 ], [ 0.0246134, -0.03059077, -0.008395 ], [ 0.00085828, 0.01164189, 0 ], [ 0.00585823, 0.0478785, 0 ], [ -0.06398309, -0.01025131, -0.05427313 ], [ -0.06398309, -0.01025131, 0.05427313 ], [ 0.0246134, 0.03059077, 0.008395 ], [ 0.0246134, 0.03059077, -0.008395 ], [ 0.00085828, -0.01164189, 0 ] ]
pbe
true
31
agm005266583-pbe-3
3
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36243827, 0, 0 ], [ 0, 5.29178278, 0 ], [ 0, 0, 7.8102933 ] ]
agm005266583
[ [ -0.000145858320944, 3.79511050222399, 0 ], [ 2.681073276679056, 1.4966722777760102, 3.90514665 ], [ 2.6915104584058707, 1.1701425038291433, 0 ], [ 0.0102913234058705, 4.121640276170857, 3.90514665 ], [ 5.341070079606087, 1.2920996815040688, 1.9622052911092922 ], [ 5.341070079606087, 1.2920996815040688, 5.8480880088907075 ], [ 2.6598509446060867, 3.999683098495931, 5.867351941109292 ], [ 2.6598509446060867, 3.999683098495931, 1.9429413588907078 ], [ 0.3567144344123738, 0.9211158100533618, 3.90514665 ], [ 1.0501500420156362, 5.166646881326956, 1.614006248488161 ], [ 1.0501500420156362, 5.166646881326956, 6.196287051511839 ], [ 1.7893056374357703, 2.411071968796307, 6.329522532504806 ], [ 1.7893056374357703, 2.411071968796307, 1.480770767495193 ], [ 2.036579409805282, 3.809746091694292, 3.90514665 ], [ 3.037933569412374, 4.3706669699466385, 0 ], [ 3.7313691770156363, 0.12513589867304378, 2.291140401511839 ], [ 3.7313691770156363, 0.12513589867304378, 5.51915289848816 ], [ 4.470524772435771, 2.880710811203693, 2.424375882504807 ], [ 4.470524772435771, 2.880710811203693, 5.385917417495193 ], [ 4.717798544805282, 1.4820366883057083, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.44847567, 0, 0 ], [ 0, -1.0410706, 0 ], [ 0, 0, -0.64209354 ] ]
-121.4582
-136.2542
[ [ -0.00297208, -0.00340916, 0 ], [ -0.00297208, 0.00340916, 0 ], [ 0.01332568, 0.01160556, 0 ], [ 0.01332568, -0.01160556, 0 ], [ -0.00404032, 0.00061966, -0.00565372 ], [ -0.00404032, 0.00061966, 0.00565372 ], [ -0.00404032, -0.00061966, -0.00565372 ], [ -0.00404032, -0.00061966, 0.00565372 ], [ -0.00217065, -0.00183818, 0 ], [ -0.00604248, 0.00508111, 0.0040651 ], [ -0.00604248, 0.00508111, -0.0040651 ], [ 0.00454081, 0.00252283, -0.0006749 ], [ 0.00454081, 0.00252283, 0.0006749 ], [ 0.00290104, -0.00430562, 0 ], [ -0.00217065, 0.00183818, 0 ], [ -0.00604248, -0.00508111, -0.0040651 ], [ -0.00604248, -0.00508111, 0.0040651 ], [ 0.00454081, -0.00252283, -0.0006749 ], [ 0.00454081, -0.00252283, 0.0006749 ], [ 0.00290104, 0.00430562, 0 ] ]
pbe
true
31
agm005266583-pbe-30
30
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36235208, 0, 0 ], [ 0, 5.29209109, 0 ], [ 0, 0, 7.81275974 ] ]
agm005266583
[ [ 0.0008026368593344, 3.7957173535803954, 0 ], [ 2.6819786768593348, 1.496373736419605, 3.90637987 ], [ 2.692410060360558, 1.170252380383029, 0 ], [ 0.011234020360558402, 4.121838709616971, 3.90637987 ], [ 5.341019678202385, 1.2924815856105012, 1.962829005456822 ], [ 5.341019678202385, 1.2924815856105012, 5.849930734543178 ], [ 2.6598436382023856, 3.9996095043894995, 5.869208875456822 ], [ 2.6598436382023856, 3.9996095043894995, 1.9435508645431776 ], [ 0.35539846386532803, 0.9203253346793221, 3.90637987 ], [ 1.0489337657563809, 5.1662887707103815, 1.6163501428040554 ], [ 1.0489337657563809, 5.1662887707103815, 6.196409597195943 ], [ 1.7896854356881664, 2.410674448760249, 6.331583778644697 ], [ 1.7896854356881664, 2.410674448760249, 1.4811759613553028 ], [ 2.037476293399635, 3.8091909645746247, 3.90637987 ], [ 3.036574503865328, 4.371765755320679, 0 ], [ 3.730109805756381, 0.1258023192896184, 2.2900297271959444 ], [ 3.730109805756381, 0.1258023192896184, 5.522730012804056 ], [ 4.470861475688166, 2.8814166412397513, 2.425203908644697 ], [ 4.470861475688166, 2.8814166412397513, 5.387555831355303 ], [ 4.7186523333996355, 1.482900125425376, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.96743258, 0, 0 ], [ 0, -1.62483317, 0 ], [ 0, 0, -1.09793133 ] ]
-121.458209
-136.254209
[ [ -0.00957961, -0.00215449, 0 ], [ -0.00957961, 0.00215449, 0 ], [ 0.01532746, 0.01359269, 0 ], [ 0.01532746, -0.01359269, 0 ], [ -0.00360769, -0.00058934, -0.0050877 ], [ -0.00360769, -0.00058934, 0.0050877 ], [ -0.00360769, 0.00058934, -0.0050877 ], [ -0.00360769, 0.00058934, 0.0050877 ], [ 0.00194942, 0.00246888, 0 ], [ -0.00584429, 0.00206206, 0.00003347 ], [ -0.00584429, 0.00206206, -0.00003347 ], [ 0.00432289, 0.00491234, -0.00079248 ], [ 0.00432289, 0.00491234, 0.00079248 ], [ 0.00256091, -0.00462245, 0 ], [ 0.00194942, -0.00246888, 0 ], [ -0.00584429, -0.00206206, -0.00003347 ], [ -0.00584429, -0.00206206, 0.00003347 ], [ 0.00432289, -0.00491234, -0.00079248 ], [ 0.00432289, -0.00491234, 0.00079248 ], [ 0.00256091, 0.00462245, 0 ] ]
pbe
true
31
agm005266583-pbe-31
31
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36153586, 0, 0 ], [ 0, 5.29102178, 0 ], [ 0, 0, 7.81305129 ] ]
agm005266583
[ [ 0.0011952471892698001, 3.795147065330597, 0 ], [ 2.6819631771892696, 1.4958747146694031, 3.906525645 ], [ 2.692918081719856, 1.1703306842676218, 0 ], [ 0.0121501517198562, 4.120691095732378, 3.906525645 ], [ 5.340152392914203, 1.2924006414072688, 1.962796776467135 ], [ 5.340152392914203, 1.2924006414072688, 5.850254513532865 ], [ 2.6593844629142036, 3.9986211385927315, 5.869322421467135 ], [ 2.6593844629142036, 3.9986211385927315, 1.9437288685328646 ], [ 0.35456233395833636, 0.9196613845607189, 3.906525645 ], [ 1.0478962600754957, 5.164874508566467, 1.6175637449007796 ], [ 1.0478962600754957, 5.164874508566467, 6.19548754509922 ], [ 1.7897615220287688, 2.4099535950602617, 6.3318424788225585 ], [ 1.7897615220287688, 2.4099535950602617, 1.4812088111774415 ], [ 2.0378047218264443, 3.8078348826488195, 3.906525645 ], [ 3.035330263958336, 4.3713603954392815, 0 ], [ 3.7286641900754955, 0.1261472714335328, 2.2889619000992205 ], [ 3.7286641900754955, 0.1261472714335328, 5.524089389900779 ], [ 4.470529452028769, 2.881068184939738, 2.4253168338225586 ], [ 4.470529452028769, 2.881068184939738, 5.387734456177442 ], [ 4.718572651826444, 1.4831868973511813, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.47624864, 0, 0 ], [ 0, -0.84729168, 0 ], [ 0, 0, -0.66368578 ] ]
-121.458297
-136.254297
[ [ -0.01203225, 0.00042692, 0 ], [ -0.01203225, -0.00042692, 0 ], [ 0.01333159, 0.0143575, 0 ], [ 0.01333159, -0.0143575, 0 ], [ -0.00246277, -0.00109536, -0.0031162 ], [ -0.00246277, -0.00109536, 0.0031162 ], [ -0.00246277, 0.00109536, -0.0031162 ], [ -0.00246277, 0.00109536, 0.0031162 ], [ 0.00300618, 0.004741, 0 ], [ -0.00275969, -0.00229394, -0.00197369 ], [ -0.00275969, -0.00229394, 0.00197369 ], [ 0.00177871, 0.00254141, 0.0002016 ], [ 0.00177871, 0.00254141, -0.0002016 ], [ 0.00258198, -0.00172216, 0 ], [ 0.00300618, -0.004741, 0 ], [ -0.00275969, 0.00229394, 0.00197369 ], [ -0.00275969, 0.00229394, -0.00197369 ], [ 0.00177871, -0.00254141, 0.0002016 ], [ 0.00177871, -0.00254141, -0.0002016 ], [ 0.00258198, 0.00172216, 0 ] ]
pbe
true
31
agm005266583-pbe-32
32
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36102759, 0, 0 ], [ 0, 5.29035591, 0 ], [ 0, 0, 7.81323284 ] ]
agm005266583
[ [ 0.0014397039592945, 3.794791921463426, 0 ], [ 2.681953498959295, 1.495563988536574, 3.90661642 ], [ 2.6932344412655516, 1.1703794069635625, 0 ], [ 0.012720646265552, 4.119976503036438, 3.90661642 ], [ 5.339612321968435, 1.2923502024789446, 1.9627767543494825 ], [ 5.339612321968435, 1.2923502024789446, 5.850456085650518 ], [ 2.659098526968434, 3.998005707521055, 5.869393174349482 ], [ 2.659098526968434, 3.998005707521055, 1.9438396656505177 ], [ 0.354041725940841, 0.9192479577333129, 3.90661642 ], [ 1.0472503098404813, 5.163993801657963, 1.6183194460721066 ], [ 1.0472503098404813, 5.163993801657963, 6.194913393927894 ], [ 1.7898089218451763, 2.409504714124534, 6.33200359601525 ], [ 1.7898089218451763, 2.409504714124534, 1.4812292439847505 ], [ 2.038009220333545, 3.806990477024263, 3.90661642 ], [ 3.0345555209408412, 4.371107952266687, 0 ], [ 3.7277641048404813, 0.12636210834203668, 2.2882969739278938 ], [ 3.7277641048404813, 0.12636210834203668, 5.524935866072107 ], [ 4.4703227168451765, 2.880851195875466, 2.4253871760152497 ], [ 4.4703227168451765, 2.880851195875466, 5.38784566398475 ], [ 4.7185230153335445, 1.4833654329757366, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.12495792, 0, 0 ], [ 0, -0.3238072, 0 ], [ 0, 0, -0.33562555 ] ]
-121.458318
-136.254318
[ [ -0.01394878, 0.00233391, 0 ], [ -0.01394878, -0.00233391, 0 ], [ 0.0128637, 0.0148083, 0 ], [ 0.0128637, -0.0148083, 0 ], [ -0.0018182, -0.00109646, -0.00177219 ], [ -0.0018182, -0.00109646, 0.00177219 ], [ -0.0018182, 0.00109646, -0.00177219 ], [ -0.0018182, 0.00109646, 0.00177219 ], [ 0.00323032, 0.00606969, 0 ], [ -0.00081522, -0.00520005, -0.00314957 ], [ -0.00081522, -0.00520005, 0.00314957 ], [ 0.00030904, 0.00105758, 0.00058627 ], [ 0.00030904, 0.00105758, -0.00058627 ], [ 0.00250351, 0.00004781, 0 ], [ 0.00323032, -0.00606969, 0 ], [ -0.00081522, 0.00520005, 0.00314957 ], [ -0.00081522, 0.00520005, -0.00314957 ], [ 0.00030904, -0.00105758, 0.00058627 ], [ 0.00030904, -0.00105758, -0.00058627 ], [ 0.00250351, -0.00004781, 0 ] ]
pbe
true
31
agm005266583-pbe-33
33
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36001104, 0, 0 ], [ 0, 5.28902416, 0 ], [ 0, 0, 7.81359595 ] ]
agm005266583
[ [ 0.0019285319721920001, 3.7940815340662417, 0 ], [ 2.681934051972192, 1.4949426259337586, 3.906797975 ], [ 2.693866883750213, 1.1704767021195137, 0 ], [ 0.013861363750212801, 4.118547457880487, 3.906797975 ], [ 5.338532242960181, 1.2922492903306562, 1.9627366253400473 ], [ 5.338532242960181, 1.2922492903306562, 5.850859324659953 ], [ 2.6585267229601808, 3.9967748696693444, 5.869534600340047 ], [ 2.6585267229601808, 3.9967748696693444, 1.9440613496599524 ], [ 0.35300067907452803, 0.9184212213725809, 3.906797975 ], [ 1.0459585039578545, 5.162232605202467, 1.619830950605416 ], [ 1.0459585039578545, 5.162232605202467, 6.193764999394584 ], [ 1.7899035946595119, 2.4086070047573185, 6.332325762318759 ], [ 1.7899035946595119, 2.4086070047573185, 1.4812701876812404 ], [ 2.0384179873239234, 3.8053018814802324, 3.906797975 ], [ 3.033006199074528, 4.370602938627419, 0 ], [ 3.725964023957854, 0.12679155479753282, 2.286967024394584 ], [ 3.725964023957854, 0.12679155479753282, 5.526628925605416 ], [ 4.469909114659512, 2.8804171552426814, 2.4255277873187593 ], [ 4.469909114659512, 2.8804171552426814, 5.388068162681241 ], [ 4.718423507323923, 1.4837222785197681, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.53691664, 0, 0 ], [ 0, 0.70916341, 0 ], [ 0, 0, 0.24331249 ] ]
-121.458298
-136.254298
[ [ -0.01640665, 0.00597576, 0 ], [ -0.01640665, -0.00597576, 0 ], [ 0.00998176, 0.01487136, 0 ], [ 0.00998176, -0.01487136, 0 ], [ -0.00051347, -0.00209127, 0.00112203 ], [ -0.00051347, -0.00209127, -0.00112203 ], [ -0.00051347, 0.00209127, 0.00112203 ], [ -0.00051347, 0.00209127, -0.00112203 ], [ 0.00443125, 0.00894381, 0 ], [ 0.00308741, -0.01035992, -0.0052767 ], [ 0.00308741, -0.01035992, 0.0052767 ], [ -0.0027532, -0.00171467, 0.00131267 ], [ -0.0027532, -0.00171467, -0.00131267 ], [ 0.00235216, 0.00376765, 0 ], [ 0.00443125, -0.00894381, 0 ], [ 0.00308741, 0.01035992, 0.0052767 ], [ 0.00308741, 0.01035992, -0.0052767 ], [ -0.0027532, 0.00171467, 0.00131267 ], [ -0.0027532, 0.00171467, -0.00131267 ], [ 0.00235216, -0.00376765, 0 ] ]
pbe
true
31
agm005266583-pbe-34
34
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36074053, 0, 0 ], [ 0, 5.28997985, 0 ], [ 0, 0, 7.81333538 ] ]
agm005266583
[ [ 0.0015777195453843, 3.7945912593670847, 0 ], [ 2.6819479845453844, 1.4953885906329156, 3.90666769 ], [ 2.6934128931020846, 1.1704068251171345, 0 ], [ 0.0130426281020847, 4.1195730248828655, 3.90666769 ], [ 5.339307324427765, 1.292321658032779, 1.962765400270552 ], [ 5.339307324427765, 1.292321658032779, 5.850569979729449 ], [ 2.6589370594277644, 3.997658191967221, 5.869433090270551 ], [ 2.6589370594277644, 3.997658191967221, 1.943902289729448 ], [ 0.3537478161453633, 0.919014551192487, 3.90666769 ], [ 1.046885616252375, 5.163496537586097, 1.6187462749563506 ], [ 1.046885616252375, 5.163496537586097, 6.194589105043649 ], [ 1.7898355781863626, 2.4092512304494873, 6.3320945879959005 ], [ 1.7898355781863626, 2.4092512304494873, 1.481240792004099 ], [ 2.038124547899733, 3.806513763053216, 3.90666769 ], [ 3.0341180811453636, 4.370965298807513, 0 ], [ 3.7272558812523746, 0.126483312413903, 2.287921415043649 ], [ 3.7272558812523746, 0.126483312413903, 5.525413964956351 ], [ 4.4702058431863625, 2.8807286195505126, 2.425426897995901 ], [ 4.4702058431863625, 2.8807286195505126, 5.387908482004099 ], [ 4.718494812899733, 1.483466086946784, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.07654513, 0, 0 ], [ 0, -0.01168889, 0 ], [ 0, 0, -0.15919834 ] ]
-121.458322
-136.254322
[ [ -0.01427142, 0.00370337, 0 ], [ -0.01427142, -0.00370337, 0 ], [ 0.01173016, 0.01427237, 0 ], [ 0.01173016, -0.01427237, 0 ], [ -0.00141741, -0.00192855, -0.00096737 ], [ -0.00141741, -0.00192855, 0.00096737 ], [ -0.00141741, 0.00192855, -0.00096737 ], [ -0.00141741, 0.00192855, 0.00096737 ], [ 0.00320399, 0.00661395, 0 ], [ 0.00013791, -0.00658486, -0.00327793 ], [ 0.00013791, -0.00658486, 0.00327793 ], [ -0.00051683, 0.0001355, 0.00054876 ], [ -0.00051683, 0.0001355, -0.00054876 ], [ 0.00292993, 0.00105025, 0 ], [ 0.00320399, -0.00661395, 0 ], [ 0.00013791, 0.00658486, 0.00327793 ], [ 0.00013791, 0.00658486, -0.00327793 ], [ -0.00051683, -0.0001355, 0.00054876 ], [ -0.00051683, -0.0001355, -0.00054876 ], [ 0.00292993, -0.00105025, 0 ] ]
pbe
true
31
agm005266583-pbe-35
35
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36075381, 0, 0 ], [ 0, 5.28989211, 0 ], [ 0, 0, 7.81313816 ] ]
agm005266583
[ [ 0.0012439629216105, 3.794636447388413, 0 ], [ 2.6816208679216107, 1.495255662611587, 3.90656908 ], [ 2.693783185343124, 1.170772093616554, 0 ], [ 0.0134062803431242, 4.119120016383446, 3.90656908 ], [ 5.339280720931126, 1.2922643051220286, 1.96268374520648 ], [ 5.339280720931126, 1.2922643051220286, 5.8504544147935205 ], [ 2.6589038159311262, 3.997627804877972, 5.8692528252064795 ], [ 2.6589038159311262, 3.997627804877972, 1.94388533479352 ], [ 0.3537737271943968, 0.9191327194276705, 3.90656908 ], [ 1.0468285444804697, 5.163217232497596, 1.618705259172676 ], [ 1.0468285444804697, 5.163217232497596, 6.194432900827324 ], [ 1.7898520201803148, 2.409197887002004, 6.33195030482247 ], [ 1.7898520201803148, 2.409197887002004, 1.4811878551775297 ], [ 2.0382498921993846, 3.8064350756494783, 3.90656908 ], [ 3.034150632194397, 4.37075939057233, 0 ], [ 3.72720544948047, 0.12667487750240491, 2.287863820827324 ], [ 3.72720544948047, 0.12667487750240491, 5.525274339172676 ], [ 4.470228925180315, 2.880694222997996, 2.4253812248224706 ], [ 4.470228925180315, 2.880694222997996, 5.38775693517753 ], [ 4.718626797199384, 1.4834570343505218, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.16975332, 0, 0 ], [ 0, -0.01601036, 0 ], [ 0, 0, -0.11068758 ] ]
-121.458359
-136.254359
[ [ -0.01173744, 0.00331346, 0 ], [ -0.01173744, -0.00331346, 0 ], [ 0.00914525, 0.01245416, 0 ], [ 0.00914525, -0.01245416, 0 ], [ -0.00098851, -0.00189654, -0.00056095 ], [ -0.00098851, -0.00189654, 0.00056095 ], [ -0.00098851, 0.00189654, -0.00056095 ], [ -0.00098851, 0.00189654, 0.00056095 ], [ 0.0028449, 0.00501585, 0 ], [ -0.0000929, -0.00512685, -0.00265499 ], [ -0.0000929, -0.00512685, 0.00265499 ], [ -0.00049348, -0.00025411, 0.00039865 ], [ -0.00049348, -0.00025411, -0.00039865 ], [ 0.00289707, 0.00187841, 0 ], [ 0.0028449, -0.00501585, 0 ], [ -0.0000929, 0.00512685, 0.00265499 ], [ -0.0000929, 0.00512685, -0.00265499 ], [ -0.00049348, 0.00025411, 0.00039865 ], [ -0.00049348, 0.00025411, -0.00039865 ], [ 0.00289707, -0.00187841, 0 ] ]
pbe
true
31
agm005266583-pbe-36
36
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36079366, 0, 0 ], [ 0, 5.2896289, 0 ], [ 0, 0, 7.81254651 ] ]
agm005266583
[ [ 0.000242575913115, 3.7947718913129393, 0 ], [ 2.680639405913115, 1.4948570086870612, 3.906273255 ], [ 2.694894024294738, 1.171867930557363, 0 ], [ 0.014497194294738, 4.117760969442637, 3.906273255 ], [ 5.339200812001013, 1.292092097292655, 1.9624387141275965 ], [ 5.339200812001013, 1.292092097292655, 5.850107795872403 ], [ 2.6588039820010128, 3.997536802707345, 5.868711969127596 ], [ 2.6588039820010128, 3.997536802707345, 1.9438345408724034 ], [ 0.35385140813784477, 0.919487146421581, 3.906273255 ], [ 1.0466573829514434, 5.162379259744885, 1.6185820576898275 ], [ 1.0466573829514434, 5.162379259744885, 6.193964452310173 ], [ 1.7899011890342011, 2.4090378638776073, 6.331517380571394 ], [ 1.7899011890342011, 2.4090378638776073, 1.481029129428606 ], [ 2.038625825261348, 3.8061990237293206, 3.906273255 ], [ 3.034248238137845, 4.3701417535784195, 0 ], [ 3.727054212951443, 0.127249640255116, 2.287691197310172 ], [ 3.727054212951443, 0.127249640255116, 5.524855312689827 ], [ 4.4702980190342005, 2.880591036122393, 2.425244125571394 ], [ 4.4702980190342005, 2.880591036122393, 5.387302384428606 ], [ 4.719022655261347, 1.4834298762706801, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.51475695, 0, 0 ], [ 0, 0.01401601, 0 ], [ 0, 0, 0.07636466 ] ]
-121.458428
-136.254428
[ [ -0.00449205, 0.00303675, 0 ], [ -0.00449205, -0.00303675, 0 ], [ 0.00493172, 0.00881949, 0 ], [ 0.00493172, -0.00881949, 0 ], [ 0.00139042, -0.00270682, 0.00250338 ], [ 0.00139042, -0.00270682, -0.00250338 ], [ 0.00139042, 0.00270682, 0.00250338 ], [ 0.00139042, 0.00270682, -0.00250338 ], [ 0.00006077, -0.00107149, 0 ], [ -0.00201338, 0.00064878, -0.00000269 ], [ -0.00201338, 0.00064878, 0.00000269 ], [ -0.00096746, -0.0016439, -0.0006531 ], [ -0.00096746, -0.0016439, 0.0006531 ], [ 0.00268041, 0.00445731, 0 ], [ 0.00006077, 0.00107149, 0 ], [ -0.00201338, -0.00064878, 0.00000269 ], [ -0.00201338, -0.00064878, -0.00000269 ], [ -0.00096746, 0.0016439, -0.0006531 ], [ -0.00096746, 0.0016439, 0.0006531 ], [ 0.00268041, -0.00445731, 0 ] ]
pbe
true
31
agm005266583-pbe-37
37
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36087335, 0, 0 ], [ 0, 5.28910249, 0 ], [ 0, 0, 7.81136322 ] ]
agm005266583
[ [ -0.0017601355470055, 3.795042742419589, 0 ], [ 2.6786765394529946, 1.4940597475804112, 3.90568161 ], [ 2.6971157994276544, 1.1740593149868297, 0 ], [ 0.016679124427654502, 4.115043175013171, 3.90568161 ], [ 5.3390409788471915, 1.2917477691841184, 1.9619487764008878 ], [ 5.3390409788471915, 1.2917477691841184, 5.8494144435991124 ], [ 2.658604303847191, 3.9973547208158817, 5.867630386400887 ], [ 2.658604303847191, 3.9973547208158817, 1.943732833599112 ], [ 0.35400677271178804, 0.9201958826781791, 3.90568161 ], [ 1.046314996351737, 5.160703444587386, 1.6183357351935264 ], [ 1.046314996351737, 5.160703444587386, 6.193027484806473 ], [ 1.789999578611279, 2.4087178341695106, 6.330651597129882 ], [ 1.789999578611279, 2.4087178341695106, 1.4807116228701174 ], [ 2.039377757281249, 3.805726941013489, 3.90568161 ], [ 3.0344434477117885, 4.368906607321821, 0 ], [ 3.7267516713517375, 0.12839904541261352, 2.2873458748064737 ], [ 3.7267516713517375, 0.12839904541261352, 5.524017345193526 ], [ 4.47043625361128, 2.8803846558304893, 2.4249699871298827 ], [ 4.47043625361128, 2.8803846558304893, 5.386393232870118 ], [ 4.719814432281249, 1.4833755489865117, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 1.2350049, 0, 0 ], [ 0, 0.13282029, 0 ], [ 0, 0, 0.52548011 ] ]
-121.458397
-136.254397
[ [ 0.00919339, 0.00088116, 0 ], [ 0.00919339, -0.00088116, 0 ], [ -0.00640775, -0.00171114, 0 ], [ -0.00640775, 0.00171114, 0 ], [ 0.00533784, -0.00372242, 0.00804831 ], [ 0.00533784, -0.00372242, -0.00804831 ], [ 0.00533784, 0.00372242, 0.00804831 ], [ 0.00533784, 0.00372242, -0.00804831 ], [ -0.00416261, -0.01112117, 0 ], [ -0.00519498, 0.01032236, 0.00662138 ], [ -0.00519498, 0.01032236, -0.00662138 ], [ -0.00055209, -0.00352882, -0.0035209 ], [ -0.00055209, -0.00352882, 0.0035209 ], [ 0.00219544, 0.00854498, 0 ], [ -0.00416261, 0.01112117, 0 ], [ -0.00519498, -0.01032236, -0.00662138 ], [ -0.00519498, -0.01032236, 0.00662138 ], [ -0.00055209, 0.00352882, -0.0035209 ], [ -0.00055209, 0.00352882, 0.0035209 ], [ 0.00219544, -0.00854498, 0 ] ]
pbe
true
31
agm005266583-pbe-38
38
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36082241, 0, 0 ], [ 0, 5.28943897, 0 ], [ 0, 0, 7.81211959 ] ]
agm005266583
[ [ -0.0004800080385914, 3.7948695876995777, 0 ], [ 2.6799311969614084, 1.494569382300422, 3.906059795 ], [ 2.6956956602060473, 1.1726584639261775, 0 ], [ 0.015284455206047399, 4.116780506073822, 3.906059795 ], [ 5.339143136957512, 1.2919678956437328, 1.9622619479466783 ], [ 5.339143136957512, 1.2919678956437328, 5.849857642053322 ], [ 2.658731931957512, 3.9974710743562674, 5.868321742946678 ], [ 2.658731931957512, 3.9974710743562674, 1.9437978470533215 ], [ 0.3539074501534858, 0.9197428287934438, 3.906059795 ], [ 1.046533853975549, 5.16177471074616, 1.6184932189637398 ], [ 1.046533853975549, 5.16177471074616, 6.19362637103626 ], [ 1.7899366810677537, 2.408922431466605, 6.331204984166184 ], [ 1.7899366810677537, 2.408922431466605, 1.480914605833817 ], [ 2.038897133580289, 3.8060287170945863, 3.906059795 ], [ 3.034318655153486, 4.369696141206556, 0 ], [ 3.7269450589755486, 0.1276642592538393, 2.2875665760362605 ], [ 3.7269450589755486, 0.1276642592538393, 5.52455301396374 ], [ 4.470347886067754, 2.880516538533395, 2.425145189166183 ], [ 4.470347886067754, 2.880516538533395, 5.386974400833816 ], [ 4.719308338580289, 1.4834102529054132, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.76775632, 0, 0 ], [ 0, 0.06604832, 0 ], [ 0, 0, 0.24978474 ] ]
-121.458441
-136.254441
[ [ -0.00000587, 0.00189654, 0 ], [ -0.00000587, -0.00189654, 0 ], [ 0.00064568, 0.00459134, 0 ], [ 0.00064568, -0.00459134, 0 ], [ 0.00274408, -0.00286084, 0.00451418 ], [ 0.00274408, -0.00286084, -0.00451418 ], [ 0.00274408, 0.00286084, 0.00451418 ], [ 0.00274408, 0.00286084, -0.00451418 ], [ -0.00127068, -0.00428483, 0 ], [ -0.00315536, 0.0035357, 0.00274451 ], [ -0.00315536, 0.0035357, -0.00274451 ], [ -0.00050272, -0.00212758, -0.00189009 ], [ -0.00050272, -0.00212758, 0.00189009 ], [ 0.00245888, 0.00569635, 0 ], [ -0.00127068, 0.00428483, 0 ], [ -0.00315536, -0.0035357, -0.00274451 ], [ -0.00315536, -0.0035357, 0.00274451 ], [ -0.00050272, 0.00212758, -0.00189009 ], [ -0.00050272, 0.00212758, 0.00189009 ], [ 0.00245888, -0.00569635, 0 ] ]
pbe
true
31
agm005266583-pbe-39
39
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.33280132, 0, 0 ], [ 0, 5.36382597, 0 ], [ 0, 0, 7.73113367 ] ]
agm005266583
[ [ 0.023198698974250802, 3.827445075788993, 0 ], [ 2.6895993589742506, 1.5363808942110067, 3.865566835 ], [ 2.5749537296366265, 1.1190070058786685, 0 ], [ 5.241354389636626, 4.244818964121332, 3.865566835 ], [ 5.29943680852546, 1.3076145748026622, 1.93821020946832 ], [ 5.29943680852546, 1.3076145748026622, 5.79292346053168 ], [ 2.633036148525459, 4.056211395197338, 5.80377704446832 ], [ 2.633036148525459, 4.056211395197338, 1.92735662553168 ], [ 0.4082521251004812, 0.9911421914284593, 3.865566835 ], [ 1.14578969321124, 5.326846734635885, 1.4986446214032814 ], [ 1.14578969321124, 5.326846734635885, 6.232489048596719 ], [ 1.7362370820655475, 2.486311898861541, 6.264055112748655 ], [ 1.7362370820655475, 2.486311898861541, 1.4670785572513447 ], [ 1.9578525731608536, 3.8734650398255424, 3.865566835 ], [ 3.074652785100481, 4.37268377857154, 0 ], [ 3.8121903532112396, 0.03697923536411429, 2.3669222135967187 ], [ 3.8121903532112396, 0.03697923536411429, 5.3642114564032815 ], [ 4.402637742065547, 2.877514071138459, 2.3984882777486556 ], [ 4.402637742065547, 2.877514071138459, 5.3326453922513455 ], [ 4.624253233160853, 1.4903609301744576, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -1.69195625, 0, 0 ], [ 0, -4.46549687, 0 ], [ 0, 0, -2.31212953 ] ]
-121.40863
-136.20463
[ [ -0.03208496, -0.04383172, 0 ], [ -0.03208496, 0.04383172, 0 ], [ 0.05213903, 0.05256781, 0 ], [ 0.05213903, -0.05256781, 0 ], [ 0.03617606, 0.07655453, -0.02477916 ], [ 0.03617606, 0.07655453, 0.02477916 ], [ 0.03617606, -0.07655453, -0.02477916 ], [ 0.03617606, -0.07655453, 0.02477916 ], [ -0.00541056, -0.05382636, 0 ], [ -0.07075418, 0.00249394, 0.04967562 ], [ -0.07075418, 0.00249394, -0.04967562 ], [ 0.04448286, 0.01840237, -0.00854226 ], [ 0.04448286, 0.01840237, 0.00854226 ], [ -0.03445297, 0.03144988, 0 ], [ -0.00541056, 0.05382636, 0 ], [ -0.07075418, -0.00249394, -0.04967562 ], [ -0.07075418, -0.00249394, 0.04967562 ], [ 0.04448286, -0.01840237, -0.00854226 ], [ 0.04448286, -0.01840237, 0.00854226 ], [ -0.03445297, -0.03144988, 0 ] ]
pbe
true
31
agm005266583-pbe-4
4
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36207685, 0, 0 ], [ 0, 5.28943531, 0 ], [ 0, 0, 7.81246209 ] ]
agm005266583
[ [ -0.0008942335562745, 3.795083458446388, 0 ], [ 2.6801441914437256, 1.4943518515536123, 3.906231045 ], [ 2.696805397494351, 1.173334329970413, 0 ], [ 0.015766972494351, 4.116100980029587, 3.906231045 ], [ 5.340462532700724, 1.291797951320707, 1.9625046175643832 ], [ 5.340462532700724, 1.291797951320707, 5.849957472435618 ], [ 2.6594241077007243, 3.997637358679293, 5.868735662564383 ], [ 2.6594241077007243, 3.997637358679293, 1.9437264274356172 ], [ 0.3539659747875225, 0.9197210875352528, 3.906231045 ], [ 1.0465674249238066, 5.16168486839288, 1.6186833172084623 ], [ 1.0465674249238066, 5.16168486839288, 6.193778772791538 ], [ 1.7903485044533596, 2.408811590680361, 6.331419589263987 ], [ 1.7903485044533596, 2.408811590680361, 1.4810425007360124 ], [ 2.0396303847944894, 3.8062546400324018, 3.906231045 ], [ 3.035004399787523, 4.369714222464747, 0 ], [ 3.7276058499238065, 0.12775044160711999, 2.2875477277915377 ], [ 3.7276058499238065, 0.12775044160711999, 5.524914362208462 ], [ 4.4713869294533595, 2.880623719319639, 2.4251885442639876 ], [ 4.4713869294533595, 2.880623719319639, 5.387273545736013 ], [ 4.72066880979449, 1.4831806699675987, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.29347476, 0, 0 ], [ 0, -0.34746189, 0 ], [ 0, 0, -0.07460679 ] ]
-121.458477
-136.254477
[ [ 0.00234725, -0.00011295, 0 ], [ 0.00234725, 0.00011295, 0 ], [ -0.00008722, 0.0032346, 0 ], [ -0.00008722, -0.0032346, 0 ], [ 0.00016184, -0.00035404, 0.00406044 ], [ 0.00016184, -0.00035404, -0.00406044 ], [ 0.00016184, 0.00035404, 0.00406044 ], [ 0.00016184, 0.00035404, -0.00406044 ], [ -0.00118605, -0.00554649, 0 ], [ -0.00282992, 0.00192143, 0.00240668 ], [ -0.00282992, 0.00192143, -0.00240668 ], [ 0.00146259, 0.00071573, -0.0023493 ], [ 0.00146259, 0.00071573, 0.0023493 ], [ 0.00133701, 0.00396285, 0 ], [ -0.00118605, 0.00554649, 0 ], [ -0.00282992, -0.00192143, -0.00240668 ], [ -0.00282992, -0.00192143, 0.00240668 ], [ 0.00146259, -0.00071573, -0.0023493 ], [ 0.00146259, -0.00071573, 0.0023493 ], [ 0.00133701, -0.00396285, 0 ] ]
pbe
true
31
agm005266583-pbe-40
40
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.3625902, 0, 0 ], [ 0, 5.28943381, 0 ], [ 0, 0, 7.81260225 ] ]
agm005266583
[ [ -0.0010637233920719998, 3.7951709802372005, 0 ], [ 2.680231376607928, 1.4942628297627998, 3.906301125 ], [ 2.6972595310254, 1.1736108990913516, 0 ], [ 0.0159644310254, 4.115822910908649, 3.906301125 ], [ 5.341002449639076, 1.291728399193052, 1.9626038893485225 ], [ 5.341002449639076, 1.291728399193052, 5.849998360651478 ], [ 2.659707349639076, 3.9977054108069483, 5.868905014348522 ], [ 2.659707349639076, 3.9977054108069483, 1.9436972356514775 ], [ 0.3539899416922, 0.9197122049398226, 3.906301125 ], [ 1.046581175360974, 5.16164807120303, 1.6187611079430977 ], [ 1.046581175360974, 5.16164807120303, 6.193841142056903 ], [ 1.790517011532766, 2.408766211863887, 6.331507396934265 ], [ 1.790517011532766, 2.408766211863887, 1.481094853065735 ], [ 2.039930438223942, 3.8063471307230254, 3.906301125 ], [ 3.0352850416922, 4.369721605060178, 0 ], [ 3.7278762753609733, 0.1277857387969708, 2.2875400170569025 ], [ 3.7278762753609733, 0.1277857387969708, 5.525062232943098 ], [ 4.471812111532766, 2.8806675981361134, 2.425206271934265 ], [ 4.471812111532766, 2.8806675981361134, 5.387395978065735 ], [ 4.721225538223941, 1.4830866792769748, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.05528545, 0, 0 ], [ 0, -0.52500072, 0 ], [ 0, 0, -0.21333232 ] ]
-121.458483
-136.254483
[ [ 0.002641, -0.00066351, 0 ], [ 0.002641, 0.00066351, 0 ], [ 0.00004586, 0.00271756, 0 ], [ 0.00004586, -0.00271756, 0 ], [ -0.00075748, 0.00035619, 0.00406172 ], [ -0.00075748, 0.00035619, -0.00406172 ], [ -0.00075748, -0.00035619, 0.00406172 ], [ -0.00075748, -0.00035619, -0.00406172 ], [ -0.00079976, -0.00596214, 0 ], [ -0.00284069, 0.00143865, 0.0023722 ], [ -0.00284069, 0.00143865, -0.0023722 ], [ 0.00219263, 0.00185094, -0.00250218 ], [ 0.00219263, 0.00185094, 0.00250218 ], [ 0.00092396, 0.00334923, 0 ], [ -0.00079976, 0.00596214, 0 ], [ -0.00284069, -0.00143865, -0.0023722 ], [ -0.00284069, -0.00143865, 0.0023722 ], [ 0.00219263, -0.00185094, -0.00250218 ], [ 0.00219263, -0.00185094, 0.00250218 ], [ 0.00092396, -0.00334923, 0 ] ]
pbe
true
31
agm005266583-pbe-41
41
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36361688, 0, 0 ], [ 0, 5.28943081, 0 ], [ 0, 0, 7.81288257 ] ]
agm005266583
[ [ -0.001402853994964, 3.7953460236680754, 0 ], [ 2.680405586005036, 1.4940847863319249, 3.906441285 ], [ 2.6981679005733503, 1.1741640368620787, 0 ], [ 0.0163594605733504, 4.115266773137921, 3.906441285 ], [ 5.3420822800438135, 1.2915892950554624, 1.9628024398126738 ], [ 5.3420822800438135, 1.2915892950554624, 5.850080130187326 ], [ 2.660273840043813, 3.9978415149445374, 5.869243724812674 ], [ 2.660273840043813, 3.9978415149445374, 1.9436388451873263 ], [ 0.3540378148470552, 0.9196944397636319, 3.906441285 ], [ 1.0466086226814746, 5.161574529777756, 1.618916772788784 ], [ 1.0466086226814746, 5.161574529777756, 6.193965797211216 ], [ 1.7908540709867091, 2.4086755072012958, 6.331683087628478 ], [ 1.7908540709867091, 2.4086755072012958, 1.4811994823715227 ], [ 2.0405305976592154, 3.806532006156447, 3.906441285 ], [ 3.0358462548470557, 4.369736370236367, 0 ], [ 3.728417062681475, 0.1278562802222443, 2.287524512211216 ], [ 3.728417062681475, 0.1278562802222443, 5.525358057788784 ], [ 4.472662510986709, 2.880755302798704, 2.4252418026284777 ], [ 4.472662510986709, 2.880755302798704, 5.387640767371523 ], [ 4.722339037659215, 1.482898803843553, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.3406965, 0, 0 ], [ 0, -0.88080072, 0 ], [ 0, 0, -0.49369055 ] ]
-121.458419
-136.254419
[ [ 0.00430881, -0.00186246, 0 ], [ 0.00430881, 0.00186246, 0 ], [ -0.00036073, 0.00236005, 0 ], [ -0.00036073, -0.00236005, 0 ], [ -0.00288665, 0.00343539, 0.00326728 ], [ -0.00288665, 0.00343539, -0.00326728 ], [ -0.00288665, -0.00343539, 0.00326728 ], [ -0.00288665, -0.00343539, -0.00326728 ], [ -0.00088382, -0.00696752, 0 ], [ -0.00254298, -0.00007103, 0.00199254 ], [ -0.00254298, -0.00007103, -0.00199254 ], [ 0.00381174, 0.00413272, -0.00269694 ], [ 0.00381174, 0.00413272, 0.00269694 ], [ 0.00017152, 0.00193316, 0 ], [ -0.00088382, 0.00696752, 0 ], [ -0.00254298, 0.00007103, -0.00199254 ], [ -0.00254298, 0.00007103, 0.00199254 ], [ 0.00381174, -0.00413272, -0.00269694 ], [ 0.00381174, -0.00413272, 0.00269694 ], [ 0.00017152, -0.00193316, 0 ] ]
pbe
true
31
agm005266583-pbe-42
42
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36300289, 0, 0 ], [ 0, 5.2894326, 0 ], [ 0, 0, 7.81271493 ] ]
agm005266583
[ [ -0.0012000791566953, 3.795241360718814, 0 ], [ 2.6803013658433046, 1.494191239281186, 3.906357465 ], [ 2.697624669628438, 1.1738332099423439, 0 ], [ 0.0161232246284382, 4.115599390057656, 3.906357465 ], [ 5.341436485588356, 1.291672511763294, 1.9626836814838382 ], [ 5.341436485588356, 1.291672511763294, 5.850031248516162 ], [ 2.659935040588356, 3.9977600882367055, 5.869041146483839 ], [ 2.659935040588356, 3.9977600882367055, 1.943673783516162 ], [ 0.35400919289748384, 0.919705065391644, 3.906357465 ], [ 1.0465922128146847, 5.161618539076295, 1.618823674922689 ], [ 1.0465922128146847, 5.161618539076295, 6.193891255077311 ], [ 1.790652498641811, 2.408729798486454, 6.331578011628972 ], [ 1.790652498641811, 2.408729798486454, 1.4811369183710283 ], [ 2.0401716783620087, 3.8064214228281297, 3.906357465 ], [ 3.0355106378974837, 4.369727534608356, 0 ], [ 3.728093657814685, 0.127814060923704, 2.2875337900773114 ], [ 3.728093657814685, 0.127814060923704, 5.525181139922689 ], [ 4.4721539436418105, 2.8807028015135456, 2.425220546628972 ], [ 4.4721539436418105, 2.8807028015135456, 5.3874943833710285 ], [ 4.721673123362009, 1.48301117717187, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.07236083, 0, 0 ], [ 0, -0.67270326, 0 ], [ 0, 0, -0.32818643 ] ]
-121.458485
-136.254485
[ [ 0.00240354, -0.00079357, 0 ], [ 0.00240354, 0.00079357, 0 ], [ 0.0001448, 0.00263917, 0 ], [ 0.0001448, -0.00263917, 0 ], [ -0.0016012, 0.00189508, 0.0032715 ], [ -0.0016012, 0.00189508, -0.0032715 ], [ -0.0016012, -0.00189508, 0.0032715 ], [ -0.0016012, -0.00189508, -0.0032715 ], [ -0.0006057, -0.0066022, 0 ], [ -0.0025167, 0.00095358, 0.00230244 ], [ -0.0025167, 0.00095358, -0.00230244 ], [ 0.00289694, 0.00271018, -0.00267907 ], [ 0.00289694, 0.00271018, 0.00267907 ], [ 0.00049926, 0.00281132, 0 ], [ -0.0006057, 0.0066022, 0 ], [ -0.0025167, -0.00095358, -0.00230244 ], [ -0.0025167, -0.00095358, 0.00230244 ], [ 0.00289694, -0.00271018, -0.00267907 ], [ 0.00289694, -0.00271018, 0.00267907 ], [ 0.00049926, -0.00281132, 0 ] ]
pbe
true
31
agm005266583-pbe-43
43
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36391642, 0, 0 ], [ 0, 5.28830654, 0 ], [ 0, 0, 7.81218845 ] ]
agm005266583
[ [ -0.001432433879961, 3.794575916889093, 0 ], [ 2.6805257761200387, 1.4937306231109062, 3.906094225 ], [ 2.6984861529432744, 1.1742622270052827, 0 ], [ 0.0165279429432744, 4.114044312994717, 3.906094225 ], [ 5.342331054820964, 1.291344434788771, 1.962830003608397 ], [ 5.342331054820964, 1.291344434788771, 5.849358446391602 ], [ 2.6603728448209645, 3.996962105211229, 5.868924228608397 ], [ 2.6603728448209645, 3.996962105211229, 1.943264221391603 ], [ 0.35402180934818034, 0.9191906501816125, 3.906094225 ], [ 1.0464812125562015, 5.160491978508909, 1.6189180156901566 ], [ 1.0464812125562015, 5.160491978508909, 6.193270434309843 ], [ 1.7910839445921773, 2.40825053519026, 6.330977130068145 ], [ 1.7910839445921773, 2.40825053519026, 1.4812113199318544 ], [ 2.040753441947468, 3.8059280072401194, 3.906094225 ], [ 3.03598001934818, 4.369115889818388, 0 ], [ 3.7284394225562014, 0.1278145614910912, 2.2871762093098438 ], [ 3.7284394225562014, 0.1278145614910912, 5.525012240690156 ], [ 4.473042154592178, 2.8800560048097394, 2.4248829050681455 ], [ 4.473042154592178, 2.8800560048097394, 5.387305544931855 ], [ 4.722711651947467, 1.4823785327598809, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.07658015, 0, 0 ], [ 0, -0.11125343, 0 ], [ 0, 0, -0.04327507 ] ]
-121.458454
-136.254454
[ [ 0.00184658, 0.00060526, 0 ], [ 0.00184658, -0.00060526, 0 ], [ -0.0001818, 0.000644, 0 ], [ -0.0001818, -0.000644, 0 ], [ -0.00260003, 0.00002764, 0.00198027 ], [ -0.00260003, 0.00002764, -0.00198027 ], [ -0.00260003, -0.00002764, 0.00198027 ], [ -0.00260003, -0.00002764, -0.00198027 ], [ -0.00036903, -0.00496502, 0 ], [ -0.00063881, -0.00187041, 0.00211878 ], [ -0.00063881, -0.00187041, -0.00211878 ], [ 0.00253317, 0.00114609, -0.00086229 ], [ 0.00253317, 0.00114609, 0.00086229 ], [ 0.00011558, 0.0018786, 0 ], [ -0.00036903, 0.00496502, 0 ], [ -0.00063881, 0.00187041, -0.00211878 ], [ -0.00063881, 0.00187041, 0.00211878 ], [ 0.00253317, -0.00114609, -0.00086229 ], [ 0.00253317, -0.00114609, 0.00086229 ], [ 0.00011558, -0.0018786, 0 ] ]
pbe
true
31
agm005266583-pbe-44
44
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36391642, 0, 0 ], [ 0, 5.28830654, 0 ], [ 0, 0, 7.81218845 ] ]
agm005266583
[ [ 5.362483986120038, 3.794575916889093, 0 ], [ 2.6805257761200387, 1.4937306231109062, 3.906094225 ], [ 2.6984861529432744, 1.1742622270052827, 0 ], [ 0.0165279429432744, 4.114044312994717, 3.906094225 ], [ 5.342331054820964, 1.291344434788771, 1.962830003608397 ], [ 5.342331054820964, 1.291344434788771, 5.849358446391602 ], [ 2.6603728448209645, 3.996962105211229, 5.868924228608397 ], [ 2.6603728448209645, 3.996962105211229, 1.943264221391603 ], [ 0.35402180934818034, 0.9191906501816125, 3.906094225 ], [ 1.0464812125562015, 5.160491978508909, 1.6189180156901566 ], [ 1.0464812125562015, 5.160491978508909, 6.193270434309843 ], [ 1.7910839445921773, 2.40825053519026, 6.330977130068145 ], [ 1.7910839445921773, 2.40825053519026, 1.4812113199318544 ], [ 2.040753441947468, 3.8059280072401194, 3.906094225 ], [ 3.03598001934818, 4.369115889818388, 0 ], [ 3.7284394225562014, 0.1278145614910912, 2.2871762093098438 ], [ 3.7284394225562014, 0.1278145614910912, 5.525012240690156 ], [ 4.473042154592178, 2.8800560048097394, 2.4248829050681455 ], [ 4.473042154592178, 2.8800560048097394, 5.387305544931855 ], [ 4.722711651947467, 1.4823785327598809, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.36830248, 0, 0 ], [ 0, -0.38902872, 0 ], [ 0, 0, 0.67902302 ] ]
-121.461575
-136.257575
[ [ 0.00229581, 0.00070228, 0 ], [ 0.00229581, -0.00070228, 0 ], [ -0.00253691, -0.00203734, 0 ], [ -0.00253691, 0.00203734, 0 ], [ -0.00238816, 0.00107463, 0.00064405 ], [ -0.00238816, 0.00107463, -0.00064405 ], [ -0.00238816, -0.00107463, 0.00064405 ], [ -0.00238816, -0.00107463, -0.00064405 ], [ -0.00065945, -0.00566576, 0 ], [ -0.00015602, -0.00218093, 0.00166426 ], [ -0.00015602, -0.00218093, -0.00166426 ], [ 0.00284908, 0.00192607, -0.00089461 ], [ 0.00284908, 0.00192607, 0.00089461 ], [ 0.00029076, 0.00459325, 0 ], [ -0.00065945, 0.00566576, 0 ], [ -0.00015602, 0.00218093, -0.00166426 ], [ -0.00015602, 0.00218093, 0.00166426 ], [ 0.00284908, -0.00192607, -0.00089461 ], [ 0.00284908, -0.00192607, 0.00089461 ], [ 0.00029076, -0.00459325, 0 ] ]
pbe
true
31
agm005266583-pbe-45
45
1
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.36457552, 0, 0 ], [ 0, 5.28762017, 0 ], [ 0, 0, 7.81395823 ] ]
agm005266583
[ [ 5.363253688591872, 3.794117259151831, 0 ], [ 2.680965928591872, 1.4935029108481694, 3.906979115 ], [ 2.6986953678736754, 1.1740115224977392, 0 ], [ 0.0164076078736752, 4.113608647502261, 3.906979115 ], [ 5.342872271401757, 1.2912286497027365, 1.963305686247273 ], [ 5.342872271401757, 1.2912286497027365, 5.8506525437527275 ], [ 2.6605845114017566, 3.996391520297264, 5.870284801247273 ], [ 2.6605845114017566, 3.996391520297264, 1.943673428752727 ], [ 0.35403349842398874, 0.91879803121988, 3.906979115 ], [ 1.0466022365946863, 5.15971697393624, 1.6193650942831115 ], [ 1.0466022365946863, 5.15971697393624, 6.194593135716889 ], [ 1.7914414673850767, 2.408030871523564, 6.332368143972007 ], [ 1.7914414673850767, 2.408030871523564, 1.4815900860279922 ], [ 2.041018204405344, 3.8056555866295945, 3.906979115 ], [ 3.036321258423989, 4.3688221387801205, 0 ], [ 3.7288899965946865, 0.1279031960637606, 2.2876140207168882 ], [ 3.7288899965946865, 0.1279031960637606, 5.526344209283112 ], [ 4.473729227385077, 2.879589298476436, 2.425389028972008 ], [ 4.473729227385077, 2.879589298476436, 5.388569201027992 ], [ 4.723305964405344, 1.4819645833704056, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.08558213, 0, 0 ], [ 0, -0.46721153, 0 ], [ 0, 0, 0.18967112 ] ]
-121.461607
-136.257607
[ [ -0.00004015, 0.00353058, 0 ], [ -0.00004015, -0.00353058, 0 ], [ -0.00041286, -0.00128684, 0 ], [ -0.00041286, 0.00128684, 0 ], [ -0.00046712, -0.00280159, 0.00139841 ], [ -0.00046712, -0.00280159, -0.00139841 ], [ -0.00046712, 0.00280159, 0.00139841 ], [ -0.00046712, 0.00280159, -0.00139841 ], [ 0.00088116, -0.00374561, 0 ], [ -0.00186407, -0.00141432, 0.00104596 ], [ -0.00186407, -0.00141432, -0.00104596 ], [ 0.00172126, -0.00015879, 0.00049295 ], [ 0.00172126, -0.00015879, -0.00049295 ], [ 0.00079173, 0.00247608, 0 ], [ 0.00088116, 0.00374561, 0 ], [ -0.00186407, 0.00141432, -0.00104596 ], [ -0.00186407, 0.00141432, 0.00104596 ], [ 0.00172126, 0.00015879, 0.00049295 ], [ 0.00172126, 0.00015879, -0.00049295 ], [ 0.00079173, -0.00247608, 0 ] ]
pbe
true
31
agm005266583-pbe-46
46
1
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.3335245, 0, 0 ], [ 0, 5.36042098, 0 ], [ 0, 0, 7.73357088 ] ]
agm005266583
[ [ 0.02198404129557, 3.8248269711140583, 0 ], [ 2.6887462912955704, 1.5355940088859417, 3.86678544 ], [ 2.57778316743699, 1.1205656122820433, 0 ], [ 5.24454541743699, 4.239855367717956, 3.86678544 ], [ 5.3001238895064455, 1.3066898279243446, 1.9388397059779103 ], [ 5.3001238895064455, 1.3066898279243446, 5.79473117402209 ], [ 2.633361639506445, 4.053731152075655, 5.805625145977911 ], [ 2.633361639506445, 4.053731152075655, 1.9279457340220896 ], [ 0.407752481520825, 0.9871039948903954, 3.86678544 ], [ 1.142820428168175, 5.321766877104801, 1.5017399812259042 ], [ 1.142820428168175, 5.321766877104801, 6.2318308987740965 ], [ 1.7382338759206653, 2.48328470445774, 6.266586030323069 ], [ 1.7382338759206653, 2.48328470445774, 1.466984849676931 ], [ 1.9602004450830453, 3.8699756528602065, 3.86678544 ], [ 3.074514731520825, 4.3733169851096045, 0 ], [ 3.809582678168175, 0.0386541028951996, 2.365045458774096 ], [ 3.809582678168175, 0.0386541028951996, 5.368525421225904 ], [ 4.404996125920666, 2.87713627554226, 2.399800590323069 ], [ 4.404996125920666, 2.87713627554226, 5.333770289676932 ], [ 4.626962695083045, 1.4904453271397937, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -1.0577752, 0, 0 ], [ 0, -3.45097349, 0 ], [ 0, 0, -2.15892648 ] ]
-121.411137
-136.207137
[ [ -0.02619277, -0.03174924, 0 ], [ -0.02619277, 0.03174924, 0 ], [ 0.05374177, 0.04943896, 0 ], [ 0.05374177, -0.04943896, 0 ], [ 0.03824173, 0.07446243, -0.02177406 ], [ 0.03824173, 0.07446243, 0.02177406 ], [ 0.03824173, -0.07446243, -0.02177406 ], [ 0.03824173, -0.07446243, 0.02177406 ], [ -0.01642233, -0.04988549, 0 ], [ -0.06814811, -0.00966279, 0.04379826 ], [ -0.06814811, -0.00966279, -0.04379826 ], [ 0.04356222, 0.02102105, -0.01009431 ], [ 0.04356222, 0.02102105, 0.01009431 ], [ -0.03843834, 0.03168219, 0 ], [ -0.01642233, 0.04988549, 0 ], [ -0.06814811, 0.00966279, -0.04379826 ], [ -0.06814811, 0.00966279, 0.04379826 ], [ 0.04356222, -0.02102105, -0.01009431 ], [ 0.04356222, -0.02102105, 0.01009431 ], [ -0.03843834, -0.03168219, 0 ] ]
pbe
true
31
agm005266583-pbe-5
5
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.33569405, 0, 0 ], [ 0, 5.35020599, 0 ], [ 0, 0, 7.7408825 ] ]
agm005266583
[ [ 0.018338567022088, 3.8169736510290444, 0 ], [ 2.6861855920220883, 1.5332323389709555, 3.87044125 ], [ 2.5862744541511358, 1.1252285192847902, 0 ], [ 5.254121479151135, 4.22497747071521, 3.87044125 ], [ 5.302185144368833, 1.3039161969964874, 1.940728340307575 ], [ 5.302185144368833, 1.3039161969964874, 5.800154159692425 ], [ 2.634338119368833, 4.046289793003512, 5.811169590307575 ], [ 2.634338119368833, 4.046289793003512, 1.929712909692425 ], [ 0.406252808564735, 0.9750089666335235, 3.87044125 ], [ 1.133908831630652, 5.306537073689022, 1.5110336557267248 ], [ 1.133908831630652, 5.306537073689022, 6.229848844273275 ], [ 1.7442264329903279, 2.4742114809112636, 6.274180336489 ], [ 1.7442264329903279, 2.4742114809112636, 1.466702163511 ], [ 1.9672464923256558, 3.859513406365834, 3.87044125 ], [ 3.074099833564735, 4.375197023366477, 0 ], [ 3.8017558566306517, 0.043668916310979, 2.3594075942732746 ], [ 3.8017558566306517, 0.043668916310979, 5.381474905726725 ], [ 4.412073457990328, 2.8759945090887364, 2.403739086489 ], [ 4.412073457990328, 2.8759945090887364, 5.337143413511 ], [ 4.635093517325656, 1.4906925836341662, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.90274691, 0, 0 ], [ 0, -0.27155897, 0 ], [ 0, 0, -1.55048929 ] ]
-121.417486
-136.213486
[ [ -0.00542875, 0.00413814, 0 ], [ -0.00542875, -0.00413814, 0 ], [ 0.05975501, 0.03971431, 0 ], [ 0.05975501, -0.03971431, 0 ], [ 0.04332773, 0.0671072, -0.01160538 ], [ 0.04332773, 0.0671072, 0.01160538 ], [ 0.04332773, -0.0671072, -0.01160538 ], [ 0.04332773, -0.0671072, 0.01160538 ], [ -0.04821408, -0.0340593, 0 ], [ -0.05815503, -0.04628554, 0.02712286 ], [ -0.05815503, -0.04628554, -0.02712286 ], [ 0.03840582, 0.03088021, -0.01621346 ], [ 0.03840582, 0.03088021, 0.01621346 ], [ -0.05326919, 0.03343697, 0 ], [ -0.04821408, 0.0340593, 0 ], [ -0.05815503, 0.04628554, -0.02712286 ], [ -0.05815503, 0.04628554, 0.02712286 ], [ 0.03840582, -0.03088021, -0.01621346 ], [ 0.03840582, -0.03088021, 0.01621346 ], [ -0.05326919, -0.03343697, 0 ] ]
pbe
true
31
agm005266583-pbe-6
6
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.34003314, 0, 0 ], [ 0, 5.32977601, 0 ], [ 0, 0, 7.75550576 ] ]
agm005266583
[ [ 0.0110416933242408, 3.8012712935782207, 0 ], [ 2.681058263324241, 1.5285047164217793, 3.87775288 ], [ 2.603269092768227, 1.1345023040287716, 0 ], [ 5.273285662768227, 4.195273705971228, 3.87775288 ], [ 5.306307413099691, 1.2983711175523907, 1.9445056963008382 ], [ 5.306307413099691, 1.2983711175523907, 5.8110000636991614 ], [ 2.6362908430996903, 4.031404892447609, 5.822258576300839 ], [ 2.6362908430996903, 4.031404892447609, 1.9332471836991616 ], [ 0.4032508403561638, 0.950897063451322, 3.87775288 ], [ 1.1160703972815411, 5.276116304811161, 1.529650586393704 ], [ 1.1160703972815411, 5.276116304811161, 6.225855173606296 ], [ 1.7562200598208968, 2.456098187033538, 6.2893753250975974 ], [ 1.7562200598208968, 2.456098187033538, 1.4661304349024031 ], [ 1.981348808159552, 3.8386125037706824, 3.87775288 ], [ 3.0732674103561637, 4.378878946548678, 0 ], [ 3.786086967281541, 0.05365970518883909, 2.348102293606296 ], [ 3.786086967281541, 0.05365970518883909, 5.4074034663937045 ], [ 4.426236629820897, 2.8736778229664623, 2.411622445097597 ], [ 4.426236629820897, 2.8736778229664623, 5.343883314902403 ], [ 4.651365378159553, 1.4911635062293176, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 4.91820634, 0, 0 ], [ 0, 6.83131013, 0 ], [ 0, 0, 0.0567623 ] ]
-121.424323
-136.220323
[ [ 0.03794078, 0.08102804, 0 ], [ 0.03794078, -0.08102804, 0 ], [ 0.06925492, 0.02178247, 0 ], [ 0.06925492, -0.02178247, 0 ], [ 0.048524, 0.05668243, 0.0108913 ], [ 0.048524, 0.05668243, -0.0108913 ], [ 0.048524, -0.05668243, 0.0108913 ], [ 0.048524, -0.05668243, -0.0108913 ], [ -0.11162476, 0.00413063, 0 ], [ -0.03261349, -0.12373917, -0.00688998 ], [ -0.03261349, -0.12373917, 0.00688998 ], [ 0.02636494, 0.05343109, -0.0303108 ], [ 0.02636494, 0.05343109, 0.0303108 ], [ -0.08012184, 0.04430829, 0 ], [ -0.11162476, -0.00413063, 0 ], [ -0.03261349, 0.12373917, 0.00688998 ], [ -0.03261349, 0.12373917, -0.00688998 ], [ 0.02636494, -0.05343109, -0.0303108 ], [ 0.02636494, -0.05343109, 0.0303108 ], [ -0.08012184, -0.04430829, 0 ] ]
pbe
true
31
agm005266583-pbe-7
7
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.34337162, 0, 0 ], [ 0, 5.3289882, 0 ], [ 0, 0, 7.75856489 ] ]
agm005266583
[ [ 0.010057507798028801, 3.8015713802352065, 0 ], [ 2.681743317798029, 1.5274168197647942, 3.879282445 ], [ 2.6088962241293934, 1.13743123163145, 0 ], [ 5.280582034129393, 4.191556968368551, 3.879282445 ], [ 5.310241861016541, 1.298828112359688, 1.9454427669821461 ], [ 5.310241861016541, 1.298828112359688, 5.813122123017854 ], [ 2.6385560510165407, 4.030160087640312, 5.824725211982146 ], [ 2.6385560510165407, 4.030160087640312, 1.9338396780178537 ], [ 0.40130826154618277, 0.946601976045438, 3.879282445 ], [ 1.1124680100266418, 5.2715671797675965, 1.5333989631628038 ], [ 1.1124680100266418, 5.2715671797675965, 6.225165926837196 ], [ 1.759849862621659, 2.45466758766969, 6.292133126243093 ], [ 1.759849862621659, 2.45466758766969, 1.4664317637569069 ], [ 1.9840760635615156, 3.8373709900639863, 3.879282445 ], [ 3.0729940715461828, 4.382386223954563, 0 ], [ 3.784153820026642, 0.05742102023240401, 2.345883481837196 ], [ 3.784153820026642, 0.05742102023240401, 5.412681408162804 ], [ 4.431535672621659, 2.8743206123303104, 2.412850681243093 ], [ 4.431535672621659, 2.8743206123303104, 5.345714208756907 ], [ 4.655761873561516, 1.491617209936014, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 3.54897725, 0, 0 ], [ 0, 5.41801408, 0 ], [ 0, 0, -0.61402821 ] ]
-121.427921
-136.223921
[ [ 0.03076677, 0.08428339, 0 ], [ 0.03076677, -0.08428339, 0 ], [ 0.06543675, 0.0144223, 0 ], [ 0.06543675, -0.0144223, 0 ], [ 0.04971635, 0.03075614, 0.0100176 ], [ 0.04971635, 0.03075614, -0.0100176 ], [ 0.04971635, -0.03075614, 0.0100176 ], [ 0.04971635, -0.03075614, -0.0100176 ], [ -0.10035316, 0.01635534, 0 ], [ -0.03547382, -0.11116329, -0.00460254 ], [ -0.03547382, -0.11116329, 0.00460254 ], [ 0.02161813, 0.04582602, -0.02804775 ], [ 0.02161813, 0.04582602, 0.02804775 ], [ -0.0675717, 0.03568356, 0 ], [ -0.10035316, -0.01635534, 0 ], [ -0.03547382, 0.11116329, 0.00460254 ], [ -0.03547382, 0.11116329, -0.00460254 ], [ 0.02161813, -0.04582602, -0.02804775 ], [ 0.02161813, -0.04582602, 0.02804775 ], [ -0.0675717, -0.03568356, 0 ] ]
pbe
true
31
agm005266583-pbe-8
8
0
[ "Co", "O", "Pr", "Zn" ]
20
A6B2CD
Co2O6PrZn
Pr2 Zn2 Co4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.35338706, 0, 0 ], [ 0, 5.32662479, 0 ], [ 0, 0, 7.76774225 ] ]
agm005266583
[ [ 0.0070993407157484, 3.802470498207909, 0 ], [ 2.6837928707157483, 1.5241542917920916, 3.883871125 ], [ 2.625800110499604, 1.1462139634697341, 0 ], [ 5.302493640499604, 4.180410826530266, 3.883871125 ], [ 5.322048706887855, 1.30019816354897, 1.9482545431429523 ], [ 5.322048706887855, 1.30019816354897, 5.819487706857048 ], [ 2.645355176887854, 4.02642662645103, 5.832125668142953 ], [ 2.645355176887854, 4.02642662645103, 1.9356165818570477 ], [ 0.39546813912372064, 0.933722223229634, 3.883871125 ], [ 1.1016367453082978, 5.257924700037224, 1.5446554726076651 ], [ 1.1016367453082978, 5.257924700037224, 6.223086777392335 ], [ 1.7707535425070737, 2.4503771599798845, 6.30040734981337 ], [ 1.7707535425070737, 2.4503771599798845, 1.46733490018663 ], [ 1.992266206411236, 3.8336473929025225, 3.883871125 ], [ 3.0721616691237204, 4.392902566770366, 0 ], [ 3.7783302753082983, 0.0687000899627771, 2.339215652392335 ], [ 3.7783302753082983, 0.0687000899627771, 5.428526597607665 ], [ 4.447447072507074, 2.876247630020116, 2.41653622481337 ], [ 4.447447072507074, 2.876247630020116, 5.351206025186631 ], [ 4.668959736411236, 1.492977397097478, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Zn", "Zn", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ -0.53295478, 0, 0 ], [ 0, 1.24523026, 0 ], [ 0, 0, -2.59730297 ] ]
-121.436023
-136.232023
[ [ 0.01523715, 0.09437964, 0 ], [ 0.01523715, -0.09437964, 0 ], [ 0.05825078, -0.00017881, 0 ], [ 0.05825078, 0.00017881, 0 ], [ 0.04931485, -0.04986439, 0.00570336 ], [ 0.04931485, -0.04986439, -0.00570336 ], [ 0.04931485, 0.04986439, 0.00570336 ], [ 0.04931485, 0.04986439, -0.00570336 ], [ -0.06981368, 0.0533453, 0 ], [ -0.04549239, -0.0749298, 0.00434907 ], [ -0.04549239, -0.0749298, -0.00434907 ], [ 0.00753591, 0.02428094, -0.02284567 ], [ 0.00753591, 0.02428094, 0.02284567 ], [ -0.02639097, 0.00938082, 0 ], [ -0.06981368, -0.0533453, 0 ], [ -0.04549239, 0.0749298, -0.00434907 ], [ -0.04549239, 0.0749298, 0.00434907 ], [ 0.00753591, -0.02428094, -0.02284567 ], [ 0.00753591, -0.02428094, 0.02284567 ], [ -0.02639097, -0.00938082, 0 ] ]
pbe
true
31
agm005266583-pbe-9
9
0
[ "Eu", "Hf", "K", "O" ]
10
A6B2CD
EuHf2KO6
K Eu Hf2 O6
4
[ 1, 1, 1 ]
3
[ [ 0, 4.13321489, 4.13321489 ], [ 4.13321489, 0, 4.13321489 ], [ 4.13321489, 4.13321489, 0 ] ]
agm005266711
[ [ 4.13321489, 4.13321489, 4.13321489 ], [ 0, 0, 0 ], [ 2.066607445, 2.066607445, 2.066607445 ], [ 6.1998223349999995, 6.1998223349999995, 6.1998223349999995 ], [ 0, 2.066607445, 2.066607445 ], [ 4.13321489, 2.066607445, 2.066607445 ], [ 2.066607445, 4.13321489, 2.066607445 ], [ 2.066607445, 0, 2.066607445 ], [ 2.066607445, 2.066607445, 0 ], [ 2.066607445, 2.066607445, 4.13321489 ] ]
[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "Eu", "Hf", "Hf", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 3.84772359, 0, 0 ], [ 0, 3.84772359, 0 ], [ 0, 0, 3.84772359 ] ]
-91.013339
-95.135339
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
225
agm005266711-pbe-0
0
0
[ "Eu", "Hf", "K", "O" ]
10
A6B2CD
EuHf2KO6
K Eu Hf2 O6
4
[ 1, 1, 1 ]
3
[ [ 0, 4.13997737, 4.13997737 ], [ 4.13997737, 0, 4.13997737 ], [ 4.13997737, 4.13997737, 0 ] ]
agm005266711
[ [ 4.13997737, 4.13997737, 4.13997737 ], [ 0, 0, 0 ], [ 2.069988685, 2.069988685, 2.069988685 ], [ 6.209966055000001, 6.209966055000001, 6.209966055000001 ], [ 0, 2.069988685, 2.069988685 ], [ 4.13997737, 2.069988685, 2.069988685 ], [ 2.069988685, 4.13997737, 2.069988685 ], [ 2.069988685, 0, 2.069988685 ], [ 2.069988685, 2.069988685, 0 ], [ 2.069988685, 2.069988685, 4.13997737 ] ]
[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "Eu", "Hf", "Hf", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ -3.99365031, 0, 0 ], [ 0, -3.99365031, 0 ], [ 0, 0, -3.99365031 ] ]
-91.013282
-95.135282
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
225
agm005266711-pbe-1
1
0
[ "Eu", "Hf", "K", "O" ]
10
A6B2CD
EuHf2KO6
K Eu Hf2 O6
4
[ 1, 1, 1 ]
3
[ [ 0, 4.13646268, 4.13646268 ], [ 4.13646268, 0, 4.13646268 ], [ 4.13646268, 4.13646268, 0 ] ]
agm005266711
[ [ 4.13646268, 4.13646268, 4.13646268 ], [ 0, 0, 0 ], [ 2.06823134, 2.06823134, 2.06823134 ], [ 6.20469402, 6.20469402, 6.20469402 ], [ 0, 2.06823134, 2.06823134 ], [ 4.13646268, 2.06823134, 2.06823134 ], [ 2.06823134, 4.13646268, 2.06823134 ], [ 2.06823134, 0, 2.06823134 ], [ 2.06823134, 2.06823134, 0 ], [ 2.06823134, 2.06823134, 4.13646268 ] ]
[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "Eu", "Hf", "Hf", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 0.07853352, 0, 0 ], [ 0, 0.07853352, 0 ], [ 0, 0, 0.07853352 ] ]
-91.013732
-95.135732
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
225
agm005266711-pbe-2
2
0
[ "Eu", "Hf", "K", "O" ]
10
A6B2CD
EuHf2KO6
K Eu Hf2 O6
4
[ 1, 1, 1 ]
3
[ [ 0, 4.13646268, 4.13646268 ], [ 4.13646268, 0, 4.13646268 ], [ 4.13646268, 4.13646268, 0 ] ]
agm005266711
[ [ 4.13646268, 4.13646268, 4.13646268 ], [ 0, 0, 0 ], [ 2.06823134, 2.06823134, 2.06823134 ], [ 6.20469402, 6.20469402, 6.20469402 ], [ 0, 2.06823134, 2.06823134 ], [ 4.13646268, 2.06823134, 2.06823134 ], [ 2.06823134, 4.13646268, 2.06823134 ], [ 2.06823134, 0, 2.06823134 ], [ 2.06823134, 2.06823134, 0 ], [ 2.06823134, 2.06823134, 4.13646268 ] ]
[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "Eu", "Hf", "Hf", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 0.15233259, 0, 0 ], [ 0, 0.15233259, 0 ], [ 0, 0, 0.15233259 ] ]
-91.014214
-95.136214
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
225
agm005266711-pbe-3
3
1
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.45986568, 0, 0 ], [ 0, 5.45986568, 0 ], [ 0, 0, 7.65105472 ] ]
agm005266728
[ [ 2.72993284, 2.72993284, 0 ], [ 0, 0, 3.82552736 ], [ 0, 2.72993284, 5.726144072505433 ], [ 0, 2.72993284, 1.9249106474945665 ], [ 2.72993284, 0, 1.9249106474945665 ], [ 2.72993284, 0, 5.726144072505433 ], [ 1.2976489514997833, 1.2976489514997833, 2.0690002831671745 ], [ 1.2976489514997833, 1.2976489514997833, 5.582054436832825 ], [ 4.162216728500217, 4.162216728500217, 5.582054436832825 ], [ 4.162216728500217, 4.162216728500217, 2.0690002831671745 ], [ 4.162216728500217, 1.2976489514997833, 5.582054436832825 ], [ 4.162216728500217, 1.2976489514997833, 2.0690002831671745 ], [ 1.2976489514997833, 4.162216728500217, 5.582054436832825 ], [ 1.2976489514997833, 4.162216728500217, 2.0690002831671745 ], [ 0, 2.72993284, 3.82552736 ], [ 0, 2.72993284, 0 ], [ 2.72993284, 0, 3.82552736 ], [ 2.72993284, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ -1.8003669, 0, 0 ], [ 0, -1.8003669, 0 ], [ 0, 0, 0.42286763 ] ]
-111.846411
-129.114411
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0128176 ], [ 0, 0, 0.0128176 ], [ 0, 0, 0.0128176 ], [ 0, 0, -0.0128176 ], [ 0.00427181, 0.00427181, -0.01778723 ], [ 0.00427181, 0.00427181, 0.01778723 ], [ -0.00427181, -0.00427181, 0.01778723 ], [ -0.00427181, -0.00427181, -0.01778723 ], [ -0.00427181, 0.00427181, 0.01778723 ], [ -0.00427181, 0.00427181, -0.01778723 ], [ 0.00427181, -0.00427181, 0.01778723 ], [ 0.00427181, -0.00427181, -0.01778723 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-0
0
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.45611529, 0, 0 ], [ 0, 5.45611529, 0 ], [ 0, 0, 7.65228913 ] ]
agm005266728
[ [ 2.728057645, 2.728057645, 0 ], [ 0, 0, 3.826144565 ], [ 0, 2.728057645, 5.726449462223942 ], [ 0, 2.728057645, 1.9258396677760572 ], [ 2.728057645, 0, 1.9258396677760572 ], [ 2.728057645, 0, 5.726449462223942 ], [ 1.2969635628229894, 1.2969635628229894, 2.0684758884267356 ], [ 1.2969635628229894, 1.2969635628229894, 5.583813241573264 ], [ 4.15915172717701, 4.15915172717701, 5.583813241573264 ], [ 4.15915172717701, 4.15915172717701, 2.0684758884267356 ], [ 4.15915172717701, 1.2969635628229894, 5.583813241573264 ], [ 4.15915172717701, 1.2969635628229894, 2.0684758884267356 ], [ 1.2969635628229894, 4.15915172717701, 5.583813241573264 ], [ 1.2969635628229894, 4.15915172717701, 2.0684758884267356 ], [ 0, 2.728057645, 3.826144565 ], [ 0, 2.728057645, 0 ], [ 2.728057645, 0, 3.826144565 ], [ 2.728057645, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.19571745, 0, 0 ], [ 0, 0.19571745, 0 ], [ 0, 0, 0.80854516 ] ]
-111.846709
-129.114709
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00399314 ], [ 0, 0, -0.00399314 ], [ 0, 0, -0.00399314 ], [ 0, 0, 0.00399314 ], [ 0.00513696, 0.00513696, -0.01278838 ], [ 0.00513696, 0.00513696, 0.01278838 ], [ -0.00513696, -0.00513696, 0.01278838 ], [ -0.00513696, -0.00513696, -0.01278838 ], [ -0.00513696, 0.00513696, 0.01278838 ], [ -0.00513696, 0.00513696, -0.01278838 ], [ 0.00513696, -0.00513696, 0.01278838 ], [ 0.00513696, -0.00513696, -0.01278838 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-1
1
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.45545027, 0, 0 ], [ 0, 5.45545027, 0 ], [ 0, 0, 7.65250802 ] ]
agm005266728
[ [ 2.727725135, 2.727725135, 0 ], [ 0, 0, 3.82625401 ], [ 0, 2.727725135, 5.726503604079185 ], [ 0, 2.727725135, 1.9260044159208154 ], [ 2.727725135, 0, 1.9260044159208154 ], [ 2.727725135, 0, 5.726503604079185 ], [ 1.296841979051531, 1.296841979051531, 2.0683828477866046 ], [ 1.296841979051531, 1.296841979051531, 5.584125172213395 ], [ 4.158608290948469, 4.158608290948469, 5.584125172213395 ], [ 4.158608290948469, 4.158608290948469, 2.0683828477866046 ], [ 4.158608290948469, 1.296841979051531, 5.584125172213395 ], [ 4.158608290948469, 1.296841979051531, 2.0683828477866046 ], [ 1.296841979051531, 4.158608290948469, 5.584125172213395 ], [ 1.296841979051531, 4.158608290948469, 2.0683828477866046 ], [ 0, 2.727725135, 3.82625401 ], [ 0, 2.727725135, 0 ], [ 2.727725135, 0, 3.82625401 ], [ 2.727725135, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.57695816, 0, 0 ], [ 0, 0.57695816, 0 ], [ 0, 0, 0.86880914 ] ]
-111.846715
-129.114715
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0067039 ], [ 0, 0, -0.0067039 ], [ 0, 0, -0.0067039 ], [ 0, 0, 0.0067039 ], [ 0.00512311, 0.00512311, -0.0116015 ], [ 0.00512311, 0.00512311, 0.0116015 ], [ -0.00512311, -0.00512311, 0.0116015 ], [ -0.00512311, -0.00512311, -0.0116015 ], [ -0.00512311, 0.00512311, 0.0116015 ], [ -0.00512311, 0.00512311, -0.0116015 ], [ 0.00512311, -0.00512311, 0.0116015 ], [ 0.00512311, -0.00512311, -0.0116015 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-2
2
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.45544222, 0, 0 ], [ 0, 5.45544222, 0 ], [ 0, 0, 7.65554265 ] ]
agm005266728
[ [ 2.72772111, 2.72772111, 0 ], [ 0, 0, 3.827771325 ], [ 0, 2.72772111, 5.728903159666807 ], [ 0, 2.72772111, 1.9266394903331943 ], [ 2.72772111, 0, 1.9266394903331943 ], [ 2.72772111, 0, 5.728903159666807 ], [ 1.2971647188128568, 1.2971647188128568, 2.068337001018015 ], [ 1.2971647188128568, 1.2971647188128568, 5.5872056489819855 ], [ 4.158277501187143, 4.158277501187143, 5.5872056489819855 ], [ 4.158277501187143, 4.158277501187143, 2.068337001018015 ], [ 4.158277501187143, 1.2971647188128568, 5.5872056489819855 ], [ 4.158277501187143, 1.2971647188128568, 2.068337001018015 ], [ 1.2971647188128568, 4.158277501187143, 5.5872056489819855 ], [ 1.2971647188128568, 4.158277501187143, 2.068337001018015 ], [ 0, 2.72772111, 3.827771325 ], [ 0, 2.72772111, 0 ], [ 2.72772111, 0, 3.827771325 ], [ 2.72772111, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.22555473, 0, 0 ], [ 0, 0.22555473, 0 ], [ 0, 0, -0.20767011 ] ]
-111.846821
-129.114821
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00456889 ], [ 0, 0, -0.00456889 ], [ 0, 0, -0.00456889 ], [ 0, 0, 0.00456889 ], [ 0.002297, 0.002297, -0.00644977 ], [ 0.002297, 0.002297, 0.00644977 ], [ -0.002297, -0.002297, 0.00644977 ], [ -0.002297, -0.002297, -0.00644977 ], [ -0.002297, 0.002297, 0.00644977 ], [ -0.002297, 0.002297, -0.00644977 ], [ 0.002297, -0.002297, 0.00644977 ], [ 0.002297, -0.002297, -0.00644977 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-3
3
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.45543946, 0, 0 ], [ 0, 5.45543946, 0 ], [ 0, 0, 7.65658299 ] ]
agm005266728
[ [ 2.72771973, 2.72771973, 0 ], [ 0, 0, 3.828291495 ], [ 0, 2.72771973, 5.729725859985833 ], [ 0, 2.72771973, 1.9268571300141681 ], [ 2.72771973, 0, 1.9268571300141681 ], [ 2.72771973, 0, 5.729725859985833 ], [ 1.2972753535203865, 1.2972753535203865, 2.0683212292590265 ], [ 1.2972753535203865, 1.2972753535203865, 5.5882617607409735 ], [ 4.158164106479614, 4.158164106479614, 5.5882617607409735 ], [ 4.158164106479614, 4.158164106479614, 2.0683212292590265 ], [ 4.158164106479614, 1.2972753535203865, 5.5882617607409735 ], [ 4.158164106479614, 1.2972753535203865, 2.0683212292590265 ], [ 1.2972753535203865, 4.158164106479614, 5.5882617607409735 ], [ 1.2972753535203865, 4.158164106479614, 2.0683212292590265 ], [ 0, 2.72771973, 3.828291495 ], [ 0, 2.72771973, 0 ], [ 2.72771973, 0, 3.828291495 ], [ 2.72771973, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.11528801, 0, 0 ], [ 0, 0.11528801, 0 ], [ 0, 0, -0.58189304 ] ]
-111.846832
-129.114832
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00467599 ], [ 0, 0, -0.00467599 ], [ 0, 0, -0.00467599 ], [ 0, 0, 0.00467599 ], [ 0.00145974, 0.00145974, -0.00491254 ], [ 0.00145974, 0.00145974, 0.00491254 ], [ -0.00145974, -0.00145974, 0.00491254 ], [ -0.00145974, -0.00145974, -0.00491254 ], [ -0.00145974, 0.00145974, 0.00491254 ], [ -0.00145974, 0.00145974, -0.00491254 ], [ 0.00145974, -0.00145974, 0.00491254 ], [ 0.00145974, -0.00145974, -0.00491254 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-4
4
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.4554386, 0, 0 ], [ 0, 5.4554386, 0 ], [ 0, 0, 7.65690502 ] ]
agm005266728
[ [ 2.7277193, 2.7277193, 0 ], [ 0, 0, 3.82845251 ], [ 0, 2.7277193, 5.729980477145782 ], [ 0, 2.7277193, 1.926924542854218 ], [ 2.7277193, 0, 1.926924542854218 ], [ 2.7277193, 0, 5.729980477145782 ], [ 1.297309627388776, 1.297309627388776, 2.068316414970187 ], [ 1.297309627388776, 1.297309627388776, 5.5885886050298135 ], [ 4.158128972611224, 4.158128972611224, 5.5885886050298135 ], [ 4.158128972611224, 4.158128972611224, 2.068316414970187 ], [ 4.158128972611224, 1.297309627388776, 5.5885886050298135 ], [ 4.158128972611224, 1.297309627388776, 2.068316414970187 ], [ 1.297309627388776, 4.158128972611224, 5.5885886050298135 ], [ 1.297309627388776, 4.158128972611224, 2.068316414970187 ], [ 0, 2.7277193, 3.82845251 ], [ 0, 2.7277193, 0 ], [ 2.7277193, 0, 3.82845251 ], [ 2.7277193, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.07599227, 0, 0 ], [ 0, 0.07599227, 0 ], [ 0, 0, -0.69401834 ] ]
-111.846833
-129.114833
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00431901 ], [ 0, 0, -0.00431901 ], [ 0, 0, -0.00431901 ], [ 0, 0, 0.00431901 ], [ 0.00110248, 0.00110248, -0.00482729 ], [ 0.00110248, 0.00110248, 0.00482729 ], [ -0.00110248, -0.00110248, 0.00482729 ], [ -0.00110248, -0.00110248, -0.00482729 ], [ -0.00110248, 0.00110248, 0.00482729 ], [ -0.00110248, 0.00110248, -0.00482729 ], [ 0.00110248, -0.00110248, 0.00482729 ], [ 0.00110248, -0.00110248, -0.00482729 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-5
5
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.4556149, 0, 0 ], [ 0, 5.4556149, 0 ], [ 0, 0, 7.65538725 ] ]
agm005266728
[ [ 2.72780745, 2.72780745, 0 ], [ 0, 0, 3.827693625 ], [ 0, 2.72780745, 5.729112299068988 ], [ 0, 2.72780745, 1.9262749509310129 ], [ 2.72780745, 0, 1.9262749509310129 ], [ 2.72780745, 0, 5.729112299068988 ], [ 1.297493670501429, 1.297493670501429, 2.0674246748310225 ], [ 1.297493670501429, 1.297493670501429, 5.587962575168978 ], [ 4.158121229498571, 4.158121229498571, 5.587962575168978 ], [ 4.158121229498571, 4.158121229498571, 2.0674246748310225 ], [ 4.158121229498571, 1.297493670501429, 5.587962575168978 ], [ 4.158121229498571, 1.297493670501429, 2.0674246748310225 ], [ 1.297493670501429, 4.158121229498571, 5.587962575168978 ], [ 1.297493670501429, 4.158121229498571, 2.0674246748310225 ], [ 0, 2.72780745, 3.827693625 ], [ 0, 2.72780745, 0 ], [ 2.72780745, 0, 3.827693625 ], [ 2.72780745, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ 0.05799236, 0, 0 ], [ 0, 0.05799236, 0 ], [ 0, 0, -0.21138436 ] ]
-111.846862
-129.114862
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00036454 ], [ 0, 0, -0.00036454 ], [ 0, 0, -0.00036454 ], [ 0, 0, 0.00036454 ], [ -0.0004587, -0.0004587, -0.0022716 ], [ -0.0004587, -0.0004587, 0.0022716 ], [ 0.0004587, 0.0004587, 0.0022716 ], [ 0.0004587, 0.0004587, -0.0022716 ], [ 0.0004587, -0.0004587, 0.0022716 ], [ 0.0004587, -0.0004587, -0.0022716 ], [ -0.0004587, 0.0004587, 0.0022716 ], [ -0.0004587, 0.0004587, -0.0022716 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-6
6
0
[ "Ba", "Dy", "Fe", "O" ]
18
A12B4CD
BaDyFe4O12
Ba Dy Fe4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.4556149, 0, 0 ], [ 0, 5.4556149, 0 ], [ 0, 0, 7.65538725 ] ]
agm005266728
[ [ 2.72780745, 2.72780745, 0 ], [ 0, 0, 3.827693625 ], [ 0, 2.72780745, 5.729112299068988 ], [ 0, 2.72780745, 1.9262749509310129 ], [ 2.72780745, 0, 1.9262749509310129 ], [ 2.72780745, 0, 5.729112299068988 ], [ 1.297493670501429, 1.297493670501429, 2.0674246748310225 ], [ 1.297493670501429, 1.297493670501429, 5.587962575168978 ], [ 4.158121229498571, 4.158121229498571, 5.587962575168978 ], [ 4.158121229498571, 4.158121229498571, 2.0674246748310225 ], [ 4.158121229498571, 1.297493670501429, 5.587962575168978 ], [ 4.158121229498571, 1.297493670501429, 2.0674246748310225 ], [ 1.297493670501429, 4.158121229498571, 5.587962575168978 ], [ 1.297493670501429, 4.158121229498571, 2.0674246748310225 ], [ 0, 2.72780745, 3.827693625 ], [ 0, 2.72780745, 0 ], [ 2.72780745, 0, 3.827693625 ], [ 2.72780745, 0, 0 ] ]
[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Ba", "Dy", "Fe", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.05555555555555555, 0.05555555555555555, 0.2222222222222222, 0.6666666666666666 ]
[ [ -0.01005649, 0, 0 ], [ 0, -0.01005649, 0 ], [ 0, 0, -0.18209536 ] ]
-111.846542
-129.114542
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0038752 ], [ 0, 0, -0.0038752 ], [ 0, 0, -0.0038752 ], [ 0, 0, 0.0038752 ], [ -0.00104506, -0.00104506, -0.00218396 ], [ -0.00104506, -0.00104506, 0.00218396 ], [ 0.00104506, 0.00104506, 0.00218396 ], [ 0.00104506, 0.00104506, -0.00218396 ], [ 0.00104506, -0.00104506, 0.00218396 ], [ 0.00104506, -0.00104506, -0.00218396 ], [ -0.00104506, 0.00104506, 0.00218396 ], [ -0.00104506, 0.00104506, -0.00218396 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
pbe
true
123
agm005266728-pbe-7
7
1
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.269221, 0, 0 ], [ 0, 6.20574881, 0 ], [ 0, 2.84200191, 6.5106788 ] ]
agm005266736
[ [ 2.1346105, 6.174571955361401, 5.444978340622 ], [ 2.1346105, 2.91197176720143, 4.020070710490399 ], [ 0, 5.7888318747409695, 2.412141388612 ], [ 2.1346105, 1.3541372463421701, 0.41307652714480003 ], [ 0, 7.46750598614096, 6.0661101194996 ], [ 2.1346105, 6.799259626520399, 3.614273122244 ], [ 0, 3.23582742844029, 2.9296622250663997 ], [ 2.1346105, 4.820423000535911, 2.5072038097708003 ], [ 0, 4.08168604920457, 4.1813272030088 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.75733622, 0, 0 ], [ 0, -0.82101545, -0.40690248 ], [ 0, -0.40690253, -1.06438077 ] ]
-52.636299
-54.496299
[ [ 0, 0.00531492, -0.01514601 ], [ 0, -0.05557348, 0.0221628 ], [ 0, 0.01216049, -0.02149179 ], [ 0, -0.02402905, -0.01636394 ], [ 0, -0.03881625, 0.00249137 ], [ 0, 0.03953482, 0.00761447 ], [ 0, 0.02987068, 0.03689321 ], [ 0, 0.04079306, 0.02436833 ], [ 0, -0.00925518, -0.04052843 ] ]
pbe
true
6
agm005266736-pbe-0
0
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26735512, 0, 0 ], [ 0, 6.2028085, -0.00145724 ], [ 0, 2.83912652, 6.50601226 ] ]
agm005266736
[ [ 2.13367756, 6.170624254567995, 5.43945354391624 ], [ 2.13367756, 2.9069680605403194, 4.017986750267662 ], [ 0, 5.7861092741574, 2.4082640673913045 ], [ 2.13367756, 1.352240165009075, 0.4117161527500898 ], [ 0, 7.460671643432114, 6.0607510430432 ], [ 2.13367756, 6.797095679143608, 3.610823108584049 ], [ 0, 3.2350462930825024, 2.9288812352567315 ], [ 2.13367756, 4.819517079279427, 2.505706209700153 ], [ 0, 4.078324432023229, 4.17584644508952 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.31090207, 0, 0 ], [ 0, 0.75105496, 0.42083696 ], [ 0, 0.42083698, 0.98449483 ] ]
-52.636755
-54.496755
[ [ 0, -0.00432892, -0.01187277 ], [ 0, -0.0169956, 0.020687 ], [ 0, 0.01672864, -0.0247465 ], [ 0, -0.01906807, -0.01214183 ], [ 0, -0.04043991, 0.00090161 ], [ 0, 0.01781886, 0.00056995 ], [ 0, -0.02273904, -0.05248591 ], [ 0, 0.02189144, 0.03511467 ], [ 0, 0.0471326, 0.04397377 ] ]
pbe
true
6
agm005266736-pbe-1
1
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26027991, 0, 0 ], [ 0, 6.21479194, 0.01407575 ], [ 0, 2.86090504, 6.52755126 ] ]
agm005266736
[ [ 2.130139955, 6.18768023874849, 5.454220592352729 ], [ 2.130139955, 2.9274901636314308, 4.043987334788946 ], [ 0, 5.810851288422603, 2.4180321977215016 ], [ 2.130139955, 1.3388964745118241, 0.40577564957054035 ], [ 0, 7.460496782078971, 6.097447889315142 ], [ 2.130139955, 6.834161783825761, 3.6324234823143944 ], [ 0, 3.2582881547107094, 2.945450679751231 ], [ 2.130139955, 4.849613423400372, 2.5474967013973226 ], [ 0, 4.100485735313776, 4.191297764738717 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.85023874, 0, 0 ], [ 0, -0.07402948, 0.80791793 ], [ 0, 0.80791793, 0.93564305 ] ]
-52.638834
-54.498834
[ [ 0, -0.01001739, -0.02404223 ], [ 0, -0.04349124, 0.00321778 ], [ 0, 0.00222984, 0.01640633 ], [ 0, -0.01337829, -0.01164276 ], [ 0, 0.0166269, 0.0233743 ], [ 0, 0.01801871, -0.01603075 ], [ 0, -0.01822623, -0.06730371 ], [ 0, 0.00428145, -0.01046875 ], [ 0, 0.04395625, 0.08648979 ] ]
pbe
true
6
agm005266736-pbe-10
10
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26023018, 0, 0 ], [ 0, 6.21469439, 0.01315724 ], [ 0, 2.85989774, 6.52652009 ] ]
agm005266736
[ [ 2.13011509, 6.1875199293810805, 5.453810033035975 ], [ 2.13011509, 2.9265128386087182, 4.042611536275114 ], [ 0, 5.809951934361476, 2.4173220286565433 ], [ 2.13011509, 1.3400066621433346, 0.4062632942817543 ], [ 0, 7.461153351028794, 6.095190805937191 ], [ 2.13011509, 6.83257459263525, 3.6315791489151024 ], [ 0, 3.2564950202547056, 2.9439407149157963 ], [ 2.13011509, 4.848302066162865, 2.5451118931696346 ], [ 0, 4.100106891471571, 4.19103038207981 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.85859226, 0, 0 ], [ 0, -0.30372132, 0.54481714 ], [ 0, 0.54481718, 0.57027079 ] ]
-52.638874
-54.498874
[ [ 0, -0.00985641, -0.02277525 ], [ 0, -0.04094204, 0.0047141 ], [ 0, 0.00346586, 0.01514835 ], [ 0, -0.01480496, -0.01233196 ], [ 0, 0.014127, 0.02398661 ], [ 0, 0.0168012, -0.01719375 ], [ 0, 0.00152192, -0.03821838 ], [ 0, 0.00566371, -0.00892531 ], [ 0, 0.02402371, 0.0555956 ] ]
pbe
true
6
agm005266736-pbe-11
11
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26134657, 0, 0 ], [ 0, 6.21427466, 0.01528205 ], [ 0, 2.86193006, 6.52932986 ] ]
agm005266736
[ [ 2.130673285, 6.1877978029763065, 5.455642407925588 ], [ 2.130673285, 2.927126296115041, 4.045566782958661 ], [ 0, 5.8110293316451616, 2.419883620475831 ], [ 2.130673285, 1.3382110172350634, 0.4056341341978985 ], [ 0, 7.460979615829111, 6.100759713825955 ], [ 2.130673285, 6.834932403767246, 3.633889969188432 ], [ 0, 3.258947075473971, 2.9459014689579393 ], [ 2.130673285, 4.8500512987457745, 2.5490545443884867 ], [ 0, 4.101457956977027, 4.194036279370818 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.23964832, 0, 0 ], [ 0, -0.30319188, 0.53868516 ], [ 0, 0.53868517, 0.34928675 ] ]
-52.639125
-54.499125
[ [ 0, -0.01048883, -0.02306607 ], [ 0, -0.02782029, -0.0000406 ], [ 0, -0.00151084, 0.01473146 ], [ 0, -0.01312295, -0.01167466 ], [ 0, 0.0143194, 0.0212998 ], [ 0, 0.01396129, -0.01431253 ], [ 0, 0.00139845, -0.02870592 ], [ 0, 0.00561155, -0.0088072 ], [ 0, 0.01765222, 0.05057572 ] ]
pbe
true
6
agm005266736-pbe-12
12
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26469574, 0, 0 ], [ 0, 6.21301546, 0.02165647 ], [ 0, 2.86802702, 6.53775916 ] ]
agm005266736
[ [ 2.13234787, 6.188626533869828, 5.461131275947441 ], [ 2.13234787, 2.9289696555418203, 4.054432891635557 ], [ 0, 5.814260810541714, 2.427570116477726 ], [ 2.13234787, 1.332821560789059, 0.4037380661091529 ], [ 0, 7.460463558735742, 6.117464336281266 ], [ 2.13234787, 6.842001659068943, 3.6408246177616697 ], [ 0, 3.2663023361543395, 2.951788808176316 ], [ 2.13234787, 4.855303007564773, 2.5608901973389733 ], [ 0, 4.105512330941767, 4.203055573445246 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -1.59647376, 0, 0 ], [ 0, -0.28577831, 0.49565164 ], [ 0, 0.49565167, -0.32695284 ] ]
-52.639512
-54.499512
[ [ 0, -0.00801722, -0.01928911 ], [ 0, 0.01107209, -0.01384346 ], [ 0, -0.01435034, 0.01348008 ], [ 0, -0.00979719, -0.01210926 ], [ 0, 0.01401232, 0.01270859 ], [ 0, 0.00356175, -0.00442554 ], [ 0, 0.0002914, -0.0005894 ], [ 0, 0.00306878, -0.01130831 ], [ 0, 0.00015842, 0.0353764 ] ]
pbe
true
6
agm005266736-pbe-13
13
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26533808, 0, 0 ], [ 0, 6.21277396, 0.02287904 ], [ 0, 2.86919637, 6.53937583 ] ]
agm005266736
[ [ 2.13266904, 6.188785296780601, 5.4621836964184896 ], [ 2.13266904, 2.9293233014002285, 4.056133331239912 ], [ 0, 5.8148805207590275, 2.4290443855964066 ], [ 2.13266904, 1.3317877613517621, 0.4033740639894397 ], [ 0, 7.460364721184541, 6.120668061068983 ], [ 2.13266904, 6.843357313161819, 3.6421547175957727 ], [ 0, 3.2677129507627374, 2.9529181591975866 ], [ 2.13266904, 4.856310355816518, 2.563160421755909 ], [ 0, 4.106290000908195, 4.204785509738211 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -1.94036244, 0, 0 ], [ 0, -0.278261, 0.49025727 ], [ 0, 0.49025727, -0.4443507 ] ]
-52.639523
-54.499523
[ [ 0, -0.00856899, -0.01944176 ], [ 0, 0.01738766, -0.01682573 ], [ 0, -0.0166961, 0.01376992 ], [ 0, -0.00865534, -0.01131857 ], [ 0, 0.01383038, 0.01078666 ], [ 0, 0.0029536, -0.00364852 ], [ 0, 0.00009425, 0.00440972 ], [ 0, 0.00363458, -0.01034266 ], [ 0, -0.00398004, 0.03261095 ] ]
pbe
true
6
agm005266736-pbe-14
14
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.262607, 0, 0 ], [ 0, 6.21141308, 0.02698846 ], [ 0, 2.87288337, 6.54208343 ] ]
agm005266736
[ [ 2.1313035, 6.1892478646028835, 5.463929271566114 ], [ 2.1313035, 2.931379361195366, 4.058883194442063 ], [ 0, 5.8153041321836, 2.4336345644869097 ], [ 2.1313035, 1.3291441732021536, 0.40236542703741257 ], [ 0, 7.461192868900398, 6.128407945980939 ], [ 2.1313035, 6.8463115206181815, 3.6457041943355675 ], [ 0, 3.2709900690128544, 2.9556542244600488 ], [ 2.1313035, 4.8585632966543, 2.5681882062560963 ], [ 0, 4.10824219952292, 4.209893386454435 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.48497932, 0, 0 ], [ 0, 0.67602634, 0.00212123 ], [ 0, 0.00212118, -0.21336023 ] ]
-52.639773
-54.499773
[ [ 0, -0.00708063, -0.01289882 ], [ 0, 0.01152183, -0.001638 ], [ 0, 0.00431008, -0.00358046 ], [ 0, -0.00502793, -0.01035901 ], [ 0, 0.01084497, 0.00751362 ], [ 0, -0.00877495, -0.00254122 ], [ 0, 0.01101369, 0.02239302 ], [ 0, -0.00198346, -0.01038681 ], [ 0, -0.01482359, 0.01149767 ] ]
pbe
true
6
agm005266736-pbe-15
15
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26155066, 0, 0 ], [ 0, 6.21088672, 0.02857792 ], [ 0, 2.87430944, 6.54313068 ] ]
agm005266736
[ [ 2.13077533, 6.189426520063824, 5.464604186564211 ], [ 2.13077533, 2.932174659663677, 4.059946772365201 ], [ 0, 5.815468050253703, 2.4354099625069656 ], [ 2.13077533, 1.3281215908279649, 0.40197504784201443 ], [ 0, 7.461513446838916, 6.131401470353951 ], [ 2.13077533, 6.847453941807934, 3.647077257575807 ], [ 0, 3.2722575658284323, 2.9567127384432914 ], [ 2.13077533, 4.859434767373012, 2.570133049381693 ], [ 0, 4.108997456054166, 4.211869012694319 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.08308249, 0, 0 ], [ 0, 1.04715366, -0.19325378 ], [ 0, -0.19325369, -0.12426239 ] ]
-52.639796
-54.499796
[ [ 0, -0.0063131, -0.01017668 ], [ 0, 0.00876205, 0.00392815 ], [ 0, 0.01300968, -0.01000507 ], [ 0, -0.00348355, -0.0097412 ], [ 0, 0.0094862, 0.00631889 ], [ 0, -0.01327335, -0.00195851 ], [ 0, 0.01501372, 0.02895836 ], [ 0, -0.00408181, -0.01060422 ], [ 0, -0.01911984, 0.00328029 ] ]
pbe
true
6
agm005266736-pbe-16
16
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26041818, 0, 0 ], [ 0, 6.21369468, 0.02992564 ], [ 0, 2.87702605, 6.54371391 ] ]
agm005266736
[ [ 2.13020909, 6.192262955281922, 5.463997680956557 ], [ 2.13020909, 2.934779931674072, 4.0608831137890755 ], [ 0, 5.819250107289057, 2.4364275865224765 ], [ 2.13020909, 1.327386070297686, 0.40088919921236044 ], [ 0, 7.4658733889736055, 6.134256565876702 ], [ 2.13020909, 6.85174328759981, 3.647762805799897 ], [ 0, 3.276036594226179, 2.958794084831557 ], [ 2.13020909, 4.862794448780321, 2.571425796366312 ], [ 0, 4.110953742246849, 4.213786813394208 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.30923992, 0, 0 ], [ 0, 0.93090376, 0.00790454 ], [ 0, 0.00790456, 0.10336339 ] ]
-52.639937
-54.499937
[ [ 0, -0.00516023, -0.00642682 ], [ 0, -0.00326612, 0.00567668 ], [ 0, 0.01059533, -0.00775708 ], [ 0, 0.00015472, -0.00752924 ], [ 0, 0.00680296, 0.00282255 ], [ 0, -0.00804686, -0.00271068 ], [ 0, 0.0026838, 0.00702202 ], [ 0, -0.00422428, -0.00623338 ], [ 0, 0.00046068, 0.01513595 ] ]
pbe
true
6
agm005266736-pbe-17
17
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25900628, 0, 0 ], [ 0, 6.21719543, 0.03160588 ], [ 0, 2.88041293, 6.54444103 ] ]
agm005266736
[ [ 2.12950314, 6.195797801131121, 5.4632412159766375 ], [ 2.12950314, 2.938028379284301, 4.062050622604879 ], [ 0, 5.823965640994043, 2.437696479565667 ], [ 2.12950314, 1.3264675242748947, 0.39953503819898617 ], [ 0, 7.471309260452345, 6.137815981762671 ], [ 2.12950314, 6.857090868391457, 3.648617536952699 ], [ 0, 3.280749642973265, 2.961389538472377 ], [ 2.12950314, 4.86698355103074, 2.573037735303152 ], [ 0, 4.113392407060334, 4.21617744652558 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.59174837, 0, 0 ], [ 0, 0.78376222, 0.258919 ], [ 0, 0.25891898, 0.38533667 ] ]
-52.639997
-54.499997
[ [ 0, -0.00335354, -0.00181161 ], [ 0, -0.01783126, 0.00833162 ], [ 0, 0.00770427, -0.0050223 ], [ 0, 0.00416529, -0.00522037 ], [ 0, 0.0038717, -0.00170067 ], [ 0, -0.00210225, -0.0029663 ], [ 0, -0.01312774, -0.02055048 ], [ 0, -0.00462002, -0.00102063 ], [ 0, 0.02529354, 0.02996073 ] ]
pbe
true
6
agm005266736-pbe-18
18
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25909863, 0, 0 ], [ 0, 6.22173104, 0.03347425 ], [ 0, 2.88447129, 6.54634752 ] ]
agm005266736
[ [ 2.129549315, 6.200831594083452, 5.4642357968560455 ], [ 2.129549315, 2.9410979892094975, 4.064158900108824 ], [ 0, 5.8297598888147455, 2.439451740657923 ], [ 2.129549315, 1.3264629902878295, 0.39861547686411175 ], [ 0, 7.4784330001845, 6.142082309787233 ], [ 2.129549315, 6.863457386890607, 3.6504709573059984 ], [ 0, 3.2850038372943544, 2.9633219080700828 ], [ 2.129549315, 4.871664104060466, 2.575091387313209 ], [ 0, 4.11784706272201, 4.220067651422821 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.18776186, 0, 0 ], [ 0, -0.2341246, 0.12566067 ], [ 0, 0.12566066, -0.31084017 ] ]
-52.640063
-54.500063
[ [ 0, -0.00238705, 0.00010767 ], [ 0, -0.01530217, 0.00275552 ], [ 0, -0.00695602, 0.0028481 ], [ 0, 0.00431826, -0.00455287 ], [ 0, 0.00267042, -0.0043414 ], [ 0, 0.0022257, -0.00297221 ], [ 0, 0.0064314, 0.00911793 ], [ 0, -0.00027778, 0.00453456 ], [ 0, 0.00927724, -0.0074973 ] ]
pbe
true
6
agm005266736-pbe-19
19
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26741425, 0, 0 ], [ 0, 6.20290169, -0.00141106 ], [ 0, 2.83921765, 6.50616016 ] ]
agm005266736
[ [ 2.133707125, 6.1707493674001865, 5.439628649671457 ], [ 2.133707125, 2.9071266525852093, 4.018052829401142 ], [ 0, 5.786195618343351, 2.408386952758418 ], [ 2.133707125, 1.3523002572089875, 0.41175922519675107 ], [ 0, 7.460888287439017, 6.060920909661734 ], [ 2.133707125, 6.797164236401263, 3.6109324565431167 ], [ 0, 3.2350710161399627, 2.928905991674735 ], [ 2.133707125, 4.819545773217589, 2.5057537243858254 ], [ 0, 4.078430977440538, 4.176020187124865 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.30108625, 0, 0 ], [ 0, 0.7167193, 0.36994984 ], [ 0, 0.36994981, 0.92567154 ] ]
-52.636753
-54.496753
[ [ 0, -0.00383275, -0.01277267 ], [ 0, -0.01828249, 0.0206039 ], [ 0, 0.01650052, -0.02416769 ], [ 0, -0.01919025, -0.01198616 ], [ 0, -0.03975376, 0.00034309 ], [ 0, 0.01771545, 0.00086222 ], [ 0, -0.02064517, -0.04839466 ], [ 0, 0.02265758, 0.03514115 ], [ 0, 0.04483087, 0.04037081 ] ]
pbe
true
6
agm005266736-pbe-2
2
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25908908, 0, 0 ], [ 0, 6.22126221, 0.03328113 ], [ 0, 2.8840518, 6.54615046 ] ]
agm005266736
[ [ 2.12954454, 6.200311186649098, 5.464132942836213 ], [ 2.12954454, 2.9407807455280923, 4.063940966402257 ], [ 0, 5.829160980546963, 2.4392703255395425 ], [ 2.12954454, 1.3264634469569396, 0.3987105689510323 ], [ 0, 7.477696666326841, 6.141641328648827 ], [ 2.12954454, 6.8627992904165795, 3.6502793790521766 ], [ 0, 3.284564107306754, 2.9631221844904396 ], [ 2.12954454, 4.871180263966194, 2.574879065064525 ], [ 0, 4.117386642333627, 4.2196655456448156 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.1012208, 0, 0 ], [ 0, -0.11365428, 0.14408395 ], [ 0, 0.14408393, -0.23400279 ] ]
-52.640065
-54.500065
[ [ 0, -0.00221833, -0.00005859 ], [ 0, -0.01607059, 0.00344139 ], [ 0, -0.00500619, 0.0022209 ], [ 0, 0.00411727, -0.00433557 ], [ 0, 0.00308804, -0.00445975 ], [ 0, 0.00224319, -0.00277802 ], [ 0, 0.00437759, 0.00575555 ], [ 0, -0.00103434, 0.00430429 ], [ 0, 0.01050336, -0.00409019 ] ]
pbe
true
6
agm005266736-pbe-20
20
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25892186, 0, 0 ], [ 0, 6.2216311, 0.03392685 ], [ 0, 2.88490325, 6.54596132 ] ]
agm005266736
[ [ 2.12946093, 6.201004608124501, 5.464115060328183 ], [ 2.12946093, 2.9407736369760578, 4.064148360001751 ], [ 0, 5.829702926715129, 2.4397173954041587 ], [ 2.12946093, 1.3265676154372952, 0.39846584639387417 ], [ 0, 7.478861006074533, 6.141958529472255 ], [ 2.12946093, 6.863702109335234, 3.650509948588933 ], [ 0, 3.285361565699273, 2.9635134355483825 ], [ 2.12946093, 4.871752079345446, 2.5753714016510623 ], [ 0, 4.1184636376075225, 4.21992611871425 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.09403778, 0, 0 ], [ 0, -0.08516673, 0.08431463 ], [ 0, 0.08431464, -0.14362664 ] ]
-52.640086
-54.500086
[ [ 0, -0.00215734, 0.00041939 ], [ 0, -0.00912771, 0.00355588 ], [ 0, -0.00358646, 0.00080144 ], [ 0, 0.00351309, -0.00379199 ], [ 0, 0.00264404, -0.00425123 ], [ 0, 0.000648, -0.00228114 ], [ 0, 0.00423879, 0.00640433 ], [ 0, -0.00160656, 0.00334822 ], [ 0, 0.00543415, -0.00420489 ] ]
pbe
true
6
agm005266736-pbe-21
21
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25860425, 0, 0 ], [ 0, 6.22233176, 0.03515333 ], [ 0, 2.88652052, 6.54560207 ] ]
agm005266736
[ [ 2.129302125, 6.202321428698502, 5.464081054437293 ], [ 2.129302125, 2.940760144699808, 4.0645419077741565 ], [ 0, 5.830732356144313, 2.440566559868994 ], [ 2.129302125, 1.3267652693070673, 0.39800110206801037 ], [ 0, 7.481072511422567, 6.142561031119425 ], [ 2.129302125, 6.865416922139573, 3.6509480004378827 ], [ 0, 3.2868763801632843, 2.9642567323155053 ], [ 2.129302125, 4.87283815061717, 2.576306360318938 ], [ 0, 4.120509485067682, 4.220421181733557 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.08018222, 0, 0 ], [ 0, -0.00155724, -0.01762604 ], [ 0, -0.01762603, 0.03256255 ] ]
-52.640106
-54.500106
[ [ 0, -0.00356999, -0.00008195 ], [ 0, 0.00284641, 0.00288261 ], [ 0, -0.00098738, -0.00153377 ], [ 0, 0.0023342, -0.0012588 ], [ 0, 0.00133196, -0.00381324 ], [ 0, -0.00127242, -0.00263019 ], [ 0, 0.00482626, 0.00803046 ], [ 0, -0.00288324, 0.00250555 ], [ 0, -0.00262578, -0.00410065 ] ]
pbe
true
6
agm005266736-pbe-22
22
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25854317, 0, 0 ], [ 0, 6.22246648, 0.03538916 ], [ 0, 2.88683149, 6.54553299 ] ]
agm005266736
[ [ 2.129271585, 6.202574657344727, 5.464074509102516 ], [ 2.129271585, 2.9407575194410156, 4.06461758893907 ], [ 0, 5.830930274612828, 2.440729847886709 ], [ 2.129271585, 1.3268033008168243, 0.39791173101719335 ], [ 0, 7.481497752030323, 6.142676881185615 ], [ 2.129271585, 6.865746665836262, 3.651032211493393 ], [ 0, 3.2871676170825603, 2.9643996625908535 ], [ 2.129271585, 4.8730469168099955, 2.5764861110959343 ], [ 0, 4.1209028608026195, 4.2205163935194845 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.07843266, 0, 0 ], [ 0, 0.00412847, -0.04366394 ], [ 0, -0.04366394, 0.06901622 ] ]
-52.640106
-54.500106
[ [ 0, -0.00319709, 0.00056643 ], [ 0, 0.00531326, 0.00275521 ], [ 0, -0.00079209, -0.00221941 ], [ 0, 0.00191904, -0.00132513 ], [ 0, 0.00106019, -0.00392598 ], [ 0, -0.00180782, -0.00280579 ], [ 0, 0.00512473, 0.00865749 ], [ 0, -0.00346634, 0.00213732 ], [ 0, -0.00415389, -0.00384013 ] ]
pbe
true
6
agm005266736-pbe-23
23
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25825537, 0, 0 ], [ 0, 6.22266758, 0.03555121 ], [ 0, 2.88709467, 6.54563599 ] ]
agm005266736
[ [ 2.129127685, 6.202632855112816, 5.464159027406707 ], [ 2.129127685, 2.9409230101609096, 4.064954759155937 ], [ 0, 5.831113614312881, 2.4407905664152945 ], [ 2.129127685, 1.3269459642161527, 0.3977023765593171 ], [ 0, 7.481995086377674, 6.142697166627567 ], [ 2.129127685, 6.866031077258602, 3.6509772028977 ], [ 0, 3.2877599402297877, 2.965073875242453 ], [ 2.129127685, 4.873103592018917, 2.57682193163572 ], [ 0, 4.121134140226798, 4.220521004443445 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.02107358, 0, 0 ], [ 0, 0.1149391, 0.04922711 ], [ 0, 0.04922708, 0.24983951 ] ]
-52.640111
-54.500111
[ [ 0, -0.00218823, -0.00097899 ], [ 0, 0.00356412, 0.00392321 ], [ 0, 0.00065118, -0.00228833 ], [ 0, 0.00120397, -0.00006409 ], [ 0, 0.00101268, -0.00363328 ], [ 0, -0.00075986, -0.00095947 ], [ 0, -0.00450811, -0.00548213 ], [ 0, -0.0027941, 0.00105249 ], [ 0, 0.00381834, 0.00843061 ] ]
pbe
true
6
agm005266736-pbe-24
24
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25830263, 0, 0 ], [ 0, 6.22263455, 0.0355246 ], [ 0, 2.88705144, 6.54561907 ] ]
agm005266736
[ [ 2.129151315, 6.202623278500971, 5.464145158059107 ], [ 2.129151315, 2.9408957975570145, 4.0648993559251085 ], [ 0, 5.831083502155796, 2.4407805918308623 ], [ 2.129151315, 1.3269225176518844, 0.3977367600770879 ], [ 0, 7.481913418498364, 6.142693844876246 ], [ 2.129151315, 6.865984354547098, 3.650986278652483 ], [ 0, 3.287662661261754, 2.964963152512489 ], [ 2.129151315, 4.87309430771819, 2.5767667530029543 ], [ 0, 4.1210961059164894, 4.220520234528577 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.00510486, 0, 0 ], [ 0, 0.09034252, 0.03708851 ], [ 0, 0.03708849, 0.21301523 ] ]
-52.640111
-54.500111
[ [ 0, -0.00256836, -0.00081079 ], [ 0, 0.00382592, 0.00371498 ], [ 0, -0.00002185, -0.00269948 ], [ 0, 0.00159228, -0.00011853 ], [ 0, 0.00094864, -0.00369336 ], [ 0, -0.00100263, -0.00206148 ], [ 0, -0.00219531, -0.00238528 ], [ 0, -0.00334281, 0.00179636 ], [ 0, 0.00276412, 0.00625759 ] ]
pbe
true
6
agm005266736-pbe-25
25
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25812567, 0, 0 ], [ 0, 6.22303674, 0.0357391 ], [ 0, 2.88745899, 6.54644114 ] ]
agm005266736
[ [ 2.129062835, 6.202935685186357, 5.464867675161795 ], [ 2.129062835, 2.9413647446032223, 4.065746314584515 ], [ 0, 5.831501882880406, 2.4410752073700084 ], [ 2.129062835, 1.3271406363836804, 0.3976791137549848 ], [ 0, 7.482699404000551, 6.143354806051681 ], [ 2.129062835, 6.866489749754302, 3.651391673538836 ], [ 0, 3.2881179545171833, 2.965633653470003 ], [ 2.129062835, 4.873257583880562, 2.5774070332233956 ], [ 0, 4.1216151468784865, 4.221322176320821 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.0427027, 0, 0 ], [ 0, -0.01351867, 0.01266034 ], [ 0, 0.0126603, 0.10544668 ] ]
-52.640118
-54.500118
[ [ 0, -0.00165903, -0.00240545 ], [ 0, 0.00122915, 0.00382077 ], [ 0, -0.00081014, -0.00127982 ], [ 0, 0.00032363, 0.00050037 ], [ 0, 0.00121007, -0.00293996 ], [ 0, 0.00024481, 0.00010257 ], [ 0, -0.00165653, -0.00048686 ], [ 0, -0.00004796, 0.00100936 ], [ 0, 0.00116599, 0.00167901 ] ]
pbe
true
6
agm005266736-pbe-26
26
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25812567, 0, 0 ], [ 0, 6.22303674, 0.0357391 ], [ 0, 2.88745899, 6.54644114 ] ]
agm005266736
[ [ 2.129062835, 6.202935685186357, 5.464867675161795 ], [ 2.129062835, 2.9413647446032223, 4.065746314584515 ], [ 0, 5.831501882880406, 2.4410752073700084 ], [ 2.129062835, 1.3271406363836804, 0.3976791137549848 ], [ 0, 7.482699404000551, 6.143354806051681 ], [ 2.129062835, 6.866489749754302, 3.651391673538836 ], [ 0, 3.2881179545171833, 2.965633653470003 ], [ 2.129062835, 4.873257583880562, 2.5774070332233956 ], [ 0, 4.1216151468784865, 4.221322176320821 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.06943289, 0, 0 ], [ 0, 0.03340071, 0.10964653 ], [ 0, 0.10964653, 0.14038715 ] ]
-52.640601
-54.500601
[ [ 0, -0.00126349, -0.00250404 ], [ 0, 0.00025605, 0.00229787 ], [ 0, -0.00021376, -0.00079732 ], [ 0, 0.0003343, 0.00008181 ], [ 0, 0.00116703, -0.00316852 ], [ 0, 0.00028553, -0.00077271 ], [ 0, -0.0014697, -0.00004987 ], [ 0, -0.00109585, 0.00132895 ], [ 0, 0.00199989, 0.00358384 ] ]
pbe
true
6
agm005266736-pbe-27
27
1
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.2668872, 0, 0 ], [ 0, 6.2030284, -0.00131214 ], [ 0, 2.83937944, 6.50636878 ] ]
agm005266736
[ [ 2.1334436, 6.17097768334599, 5.439035369075437 ], [ 2.1334436, 2.9051571477734486, 4.019475426447156 ], [ 0, 5.787223971973715, 2.4071643514456986 ], [ 2.1334436, 1.3510558797122336, 0.41095623598755443 ], [ 0, 7.458782246107398, 6.0612700788171265 ], [ 2.1334436, 6.799005587389484, 3.6113639447512798 ], [ 0, 3.235300191169413, 2.928416973692168 ], [ 2.1334436, 4.821526392994887, 2.5077091539657745 ], [ 0, 4.079817067278189, 4.176441315213846 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.02454093, 0, 0 ], [ 0, 0.62091465, 0.45588126 ], [ 0, 0.45588128, 0.73608587 ] ]
-52.637133
-54.497133
[ [ 0, -0.0113181, -0.01248351 ], [ 0, 0.01679842, 0.01065282 ], [ 0, 0.00976974, -0.01370362 ], [ 0, -0.01746925, -0.01027081 ], [ 0, -0.03650688, 0.00357646 ], [ 0, 0.01162742, -0.00431818 ], [ 0, -0.00488962, -0.02219 ], [ 0, 0.01152335, 0.03125835 ], [ 0, 0.02046492, 0.01747848 ] ]
pbe
true
6
agm005266736-pbe-3
3
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26622264, 0, 0 ], [ 0, 6.20318816, -0.00118742 ], [ 0, 2.83958345, 6.50663183 ] ]
agm005266736
[ [ 2.13311132, 6.17126542767911, 5.438287173531606 ], [ 2.13311132, 2.902673684881794, 4.021269186401082 ], [ 0, 5.788520642878408, 2.405622699693277 ], [ 2.13311132, 1.3494868323201428, 0.40994373496204034 ], [ 0, 7.456126707272343, 6.061710321771113 ], [ 2.13311132, 6.801327460626062, 3.6119081428142894 ], [ 0, 3.2355891491215534, 2.927800289408389 ], [ 2.13311132, 4.8240239185234, 2.510174934480667 ], [ 0, 4.081564911306694, 4.176972427923731 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.2981739, 0, 0 ], [ 0, 0.54370568, 0.5673206 ], [ 0, 0.56732056, 0.52383818 ] ]
-52.637314
-54.497314
[ [ 0, -0.02092135, -0.01309553 ], [ 0, 0.06194998, -0.00167923 ], [ 0, 0.00106276, 0.00004213 ], [ 0, -0.01574409, -0.00781228 ], [ 0, -0.03132662, 0.00670529 ], [ 0, 0.00313304, -0.01082011 ], [ 0, 0.0139065, 0.01060145 ], [ 0, -0.00186701, 0.02633569 ], [ 0, -0.01019322, -0.01027741 ] ]
pbe
true
6
agm005266736-pbe-4
4
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26526482, 0, 0 ], [ 0, 6.20493621, 0.00061586 ], [ 0, 2.84227564, 6.50924633 ] ]
agm005266736
[ [ 2.13263241, 6.173727945717603, 5.440517495647689 ], [ 2.13263241, 2.9059257671938683, 4.023943950020581 ], [ 0, 5.791438492125329, 2.4071122266924774 ], [ 2.13263241, 1.3485368751080136, 0.4096043894765415 ], [ 0, 7.45722487071656, 6.065870605358965 ], [ 2.13263241, 6.805449125150957, 3.614575159604592 ], [ 0, 3.238001470153184, 2.9296031447077047 ], [ 2.13263241, 4.8271842128157285, 2.514490846286201 ], [ 0, 4.08427715838093, 4.179038041612754 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ -0.11944101, 0, 0 ], [ 0, 0.31084316, 0.44894956 ], [ 0, 0.4489496, 0.3649353 ] ]
-52.637659
-54.497659
[ [ 0, -0.02045751, -0.01532535 ], [ 0, 0.04747569, -0.00028937 ], [ 0, 0.00086485, 0.00219492 ], [ 0, -0.01598554, -0.00868952 ], [ 0, -0.02444, 0.00958069 ], [ 0, 0.00493798, -0.01249066 ], [ 0, 0.02156137, 0.01700302 ], [ 0, 0.00061134, 0.02288296 ], [ 0, -0.01456818, -0.0148667 ] ]
pbe
true
6
agm005266736-pbe-5
5
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26239135, 0, 0 ], [ 0, 6.21018037, 0.00602571 ], [ 0, 2.85035219, 6.51708982 ] ]
agm005266736
[ [ 2.131195675, 6.181110601441271, 5.447203605410169 ], [ 2.131195675, 2.915687101543339, 4.031973407871455 ], [ 0, 5.800191281040751, 2.4115803001615657 ], [ 2.131195675, 1.3456812853848945, 0.40858053689611623 ], [ 0, 7.460513257508502, 6.078345035792626 ], [ 2.131195675, 6.817816206796863, 3.6225786508906634 ], [ 0, 3.2452401346194666, 2.9350134438767568 ], [ 2.131195675, 4.836673773301989, 2.527447039801103 ], [ 0, 4.092414186905266, 4.1852352026380535 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.44821003, 0, 0 ], [ 0, -0.40569246, 0.06664561 ], [ 0, 0.06664562, -0.11886988 ] ]
-52.63835
-54.49835
[ [ 0, -0.01585761, -0.01923933 ], [ 0, 0.00254793, 0.00385466 ], [ 0, 0.00350902, 0.00817563 ], [ 0, -0.01698753, -0.01094901 ], [ 0, -0.00647631, 0.01857022 ], [ 0, 0.00959642, -0.0169602 ], [ 0, 0.04391816, 0.03561899 ], [ 0, 0.00657655, 0.00875098 ], [ 0, -0.02682665, -0.02782193 ] ]
pbe
true
6
agm005266736-pbe-6
6
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.25664443, 0, 0 ], [ 0, 6.22066869, 0.01684539 ], [ 0, 2.8665053, 6.5327768 ] ]
agm005266736
[ [ 2.128322215, 6.195856168561443, 5.460556332868197 ], [ 2.128322215, 2.9352301209503695, 4.048052703103364 ], [ 0, 5.817693922164806, 2.4205140725330385 ], [ 2.128322215, 1.3399464861299286, 0.4065094159467335 ], [ 0, 7.467065439610041, 6.10326815789618 ], [ 2.128322215, 6.842558983421297, 3.63859464369935 ], [ 0, 3.259724635122992, 2.9458413983690086 ], [ 2.128322215, 4.855686940227682, 2.5533924268147032 ], [ 0, 4.108688889541606, 4.197630446637102 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 1.5964073, 0, 0 ], [ 0, -1.80232562, -0.69971976 ], [ 0, -0.69971974, -1.05376996 ] ]
-52.638159
-54.498159
[ [ 0, -0.00756063, -0.02764614 ], [ 0, -0.08689459, 0.01080142 ], [ 0, 0.00671812, 0.020346 ], [ 0, -0.01800468, -0.01480323 ], [ 0, 0.03003589, 0.0363692 ], [ 0, 0.01830209, -0.02631455 ], [ 0, 0.0880858, 0.071751 ], [ 0, 0.02020151, -0.01731739 ], [ 0, -0.05088351, -0.0531863 ] ]
pbe
true
6
agm005266736-pbe-7
7
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26007971, 0, 0 ], [ 0, 6.21439919, 0.01037782 ], [ 0, 2.85684962, 6.52339975 ] ]
agm005266736
[ [ 2.130039855, 6.187034859621118, 5.4525676796513505 ], [ 2.130039855, 2.9235553387366267, 4.038448402342599 ], [ 0, 5.807230500774321, 2.4151729716430634 ], [ 2.130039855, 1.343366145399663, 0.40773911681410924 ], [ 0, 7.463140071935626, 6.088360956552962 ], [ 2.130039855, 6.827771744919443, 3.629024107460183 ], [ 0, 3.251068922255012, 2.9393714767877936 ], [ 2.130039855, 4.84433375811559, 2.537895104434422 ], [ 0, 4.0989607580640275, 4.19022137327573 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.91161695, 0, 0 ], [ 0, -0.96990841, -0.23693114 ], [ 0, -0.23693105, -0.49188692 ] ]
-52.638527
-54.498527
[ [ 0, -0.01275696, -0.02256865 ], [ 0, -0.03358371, 0.00671021 ], [ 0, 0.0050383, 0.01257872 ], [ 0, -0.01744489, -0.01223368 ], [ 0, 0.00845314, 0.02604092 ], [ 0, 0.01371618, -0.02124022 ], [ 0, 0.06160237, 0.04979592 ], [ 0, 0.01161894, -0.00063084 ], [ 0, -0.03664338, -0.03845238 ] ]
pbe
true
6
agm005266736-pbe-8
8
0
[ "Br", "Li", "O", "Pr" ]
9
A4B2C2D
Br2LiO4Pr2
Li Pr2 Br2 O4
4
[ 1, 1, 1 ]
3
[ [ 4.26014593, 0, 0 ], [ 0, 6.2145291, 0.01160095 ], [ 0, 2.858191, 6.52477292 ] ]
agm005266736
[ [ 2.130072965, 6.187248707289234, 5.453114889289035 ], [ 2.130072965, 2.924856590440928, 4.0402802513262515 ], [ 0, 5.808428217337671, 2.416118621453247 ], [ 2.130072965, 1.341888015819334, 0.4070902319893232 ], [ 0, 7.462265621712696, 6.091367045692029 ], [ 2.130072965, 6.829885510743999, 3.630148301707576 ], [ 0, 3.2534564803713524, 2.9413816144935745 ], [ 2.130072965, 4.846079528514158, 2.541070324284842 ], [ 0, 4.099465410947528, 4.190577680580594 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]
[ "Li", "Pr", "Pr", "Br", "Br", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.2222222222222222 ]
[ [ 0.89217408, 0, 0 ], [ 0, -0.67520211, 0.10628873 ], [ 0, 0.10628872, -0.02586516 ] ]
-52.638765
-54.498765
[ [ 0, -0.01212293, -0.0234872 ], [ 0, -0.03731274, 0.00586422 ], [ 0, 0.00431234, 0.01398095 ], [ 0, -0.01600378, -0.01213057 ], [ 0, 0.01120639, 0.02474565 ], [ 0, 0.01531782, -0.01946613 ], [ 0, 0.03535298, 0.0117944 ], [ 0, 0.00958534, -0.00388149 ], [ 0, -0.01033541, 0.00258017 ] ]
pbe
true
6
agm005266736-pbe-9
9
0
[ "Ca", "K", "Nb", "O", "W" ]
10
A6BCDE
CaKNbO6W
K Ca Nb W O6
5
[ 1, 1, 1 ]
3
[ [ 0, 4.04869653, 4.04869653 ], [ 4.04869653, 0, 4.04869653 ], [ 4.04869653, 4.04869653, 0 ] ]
agm005266751
[ [ 6.0730447949999995, 6.0730447949999995, 6.0730447949999995 ], [ 2.024348265, 2.024348265, 2.024348265 ], [ 0, 0, 0 ], [ 4.04869653, 4.04869653, 4.04869653 ], [ 4.04869653, 2.0154360312763724, 4.04869653 ], [ 4.04869653, 6.081957028723628, 4.04869653 ], [ 6.081957028723628, 4.04869653, 4.04869653 ], [ 2.0154360312763724, 4.04869653, 4.04869653 ], [ 4.04869653, 4.04869653, 2.0154360312763724 ], [ 4.04869653, 4.04869653, 6.081957028723628 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "K", "Ca", "Nb", "W", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ 0.84725583, 0, 0 ], [ 0, 0.84725583, 0 ], [ 0, 0, 0.84725583 ] ]
-73.573274
-82.133274
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.07937142, 0 ], [ 0, 0.07937142, 0 ], [ 0.07937142, 0, 0 ], [ -0.07937142, 0, 0 ], [ 0, 0, -0.07937142 ], [ 0, 0, 0.07937142 ] ]
pbe
true
216
agm005266751-pbe-0
0
0
[ "Ca", "K", "Nb", "O", "W" ]
10
A6BCDE
CaKNbO6W
K Ca Nb W O6
5
[ 1, 1, 1 ]
3
[ [ 0, 4.05006749, 4.05006749 ], [ 4.05006749, 0, 4.05006749 ], [ 4.05006749, 4.05006749, 0 ] ]
agm005266751
[ [ 6.075101235, 6.075101235, 6.075101235 ], [ 2.025033745, 2.025033745, 2.025033745 ], [ 0, 0, 0 ], [ 4.05006749, 4.05006749, 4.05006749 ], [ 4.05006749, 2.0122881016076204, 4.05006749 ], [ 4.05006749, 6.087846878392379, 4.05006749 ], [ 6.087846878392379, 4.05006749, 4.05006749 ], [ 2.0122881016076204, 4.05006749, 4.05006749 ], [ 4.05006749, 4.05006749, 2.0122881016076204 ], [ 4.05006749, 4.05006749, 6.087846878392379 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "K", "Ca", "Nb", "W", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ -0.07687611, 0, 0 ], [ 0, -0.07687611, 0 ], [ 0, 0, -0.07687611 ] ]
-73.573711
-82.133711
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.04448646, 0 ], [ 0, -0.04448646, 0 ], [ -0.04448646, 0, 0 ], [ 0.04448646, 0, 0 ], [ 0, 0, 0.04448646 ], [ 0, 0, -0.04448646 ] ]
pbe
true
216
agm005266751-pbe-1
1
0
[ "Ca", "K", "Nb", "O", "W" ]
10
A6BCDE
CaKNbO6W
K Ca Nb W O6
5
[ 1, 1, 1 ]
3
[ [ 0, 4.0495875, 4.0495875 ], [ 4.0495875, 0, 4.0495875 ], [ 4.0495875, 4.0495875, 0 ] ]
agm005266751
[ [ 6.07438125, 6.07438125, 6.07438125 ], [ 2.02479375, 2.02479375, 2.02479375 ], [ 0, 0, 0 ], [ 4.0495875, 4.0495875, 4.0495875 ], [ 4.0495875, 2.0133901116, 4.0495875 ], [ 4.0495875, 6.0857848884, 4.0495875 ], [ 6.0857848884, 4.0495875, 4.0495875 ], [ 2.0133901116, 4.0495875, 4.0495875 ], [ 4.0495875, 4.0495875, 2.0133901116 ], [ 4.0495875, 4.0495875, 6.0857848884 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "K", "Ca", "Nb", "W", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ 0.23596807, 0, 0 ], [ 0, 0.23596807, 0 ], [ 0, 0, 0.23596807 ] ]
-73.573891
-82.133891
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00041478, 0 ], [ 0, -0.00041478, 0 ], [ -0.00041478, 0, 0 ], [ 0.00041478, 0, 0 ], [ 0, 0, 0.00041478 ], [ 0, 0, -0.00041478 ] ]
pbe
true
216
agm005266751-pbe-2
2
0
[ "Ca", "K", "Nb", "O", "W" ]
10
A6BCDE
CaKNbO6W
K Ca Nb W O6
5
[ 1, 1, 1 ]
3
[ [ 0, 4.0495875, 4.0495875 ], [ 4.0495875, 0, 4.0495875 ], [ 4.0495875, 4.0495875, 0 ] ]
agm005266751
[ [ 6.07438125, 6.07438125, 6.07438125 ], [ 2.02479375, 2.02479375, 2.02479375 ], [ 0, 0, 0 ], [ 4.0495875, 4.0495875, 4.0495875 ], [ 4.0495875, 2.0133901116, 4.0495875 ], [ 4.0495875, 6.0857848884, 4.0495875 ], [ 6.0857848884, 4.0495875, 4.0495875 ], [ 2.0133901116, 4.0495875, 4.0495875 ], [ 4.0495875, 4.0495875, 2.0133901116 ], [ 4.0495875, 4.0495875, 6.0857848884 ] ]
[{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "K", "Ca", "Nb", "W", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.1, 0.1, 0.1, 0.6, 0.1 ]
[ [ 0.27545318, 0, 0 ], [ 0, 0.27545318, 0 ], [ 0, 0, 0.27545318 ] ]
-73.574283
-82.134283
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00069651, 0 ], [ 0, -0.00069651, 0 ], [ -0.00069651, 0, 0 ], [ 0.00069651, 0, 0 ], [ 0, 0, 0.00069651 ], [ 0, 0, -0.00069651 ] ]
pbe
true
216
agm005266751-pbe-3
3
1
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08830698, -7.08115541, 0 ], [ 4.08830698, 7.08115541, 0 ], [ 0, 0, 5.124435 ] ]
agm005266753
[ [ 3.4117535402977697, -4.654710198117296, 5.108749104465 ], [ 2.4396399131342097, -0.6273101398352048, 5.108749104465 ], [ 6.41352748656802, -1.7991350720475001, 5.108749104465 ], [ 2.1523546634157498, 2.345755445985755, 2.5972635109650004 ], [ 5.043613454519569, 4.0442838695608145, 2.5972635109650004 ], [ 5.06895282206468, 0.6911160944534291, 2.5972635109650004 ], [ 4.08830698, 2.36038518387437, 0.01652117844 ], [ 4.08830698, -2.36038518387437, 2.706526714035 ], [ 0, 0, 2.322276079995 ], [ 4.08830698, -2.36038518387437, 0.88865901996 ], [ 0, 0, 3.950954758305 ], [ 5.61502393795937, 1.8507472770497055, 3.911476111065 ], [ 2.88358916809241, 1.2930283958026956, 3.911476111065 ], [ 3.76630783394822, 3.9373797371476, 3.911476111065 ], [ 3.8517534907132895, 0.7592863067739457, 1.2242428948050001 ], [ 2.81999146471153, 3.365795882796255, 1.2242428948050001 ], [ 5.593175984575179, 2.9560732204297997, 1.2242428948050001 ], [ 6.671242134549349, 0.09064820718469502, 1.6192240957350001 ], [ 0.83118956291375, 1.2583661400707453, 1.6192240957350001 ], [ 4.762489242536899, 5.732141062744558, 1.6192240957350001 ], [ 4.81428813285657, -0.8951973301509142, 3.5958467861100005 ], [ 4.9942062646662695, -3.7216971612956953, 3.5958467861100005 ], [ 2.4564265424771596, -2.4642609185533906, 3.5958467861100005 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -5.93232655, 0.00000114, 0 ], [ -0.00000114, -5.93232655, 0 ], [ 0, 0, -6.53552046 ] ]
-162.07217
-171.69017
[ [ -0.04494622, 0.0451029, 0.02225536 ], [ 0.06153337, 0.01637312, 0.02225536 ], [ -0.01658715, -0.06147602, 0.02225536 ], [ 0.05420294, 0.02373106, 0.0220423 ], [ -0.00654976, -0.05880665, 0.0220423 ], [ -0.04765317, 0.03507559, 0.0220423 ], [ 0, 0, 0.04467539 ], [ 0, 0, -0.00288412 ], [ 0, 0, -0.1322288 ], [ 0, 0, 0.03531978 ], [ 0, 0, 0.05535819 ], [ -0.01675447, 0.02040886, -0.0132726 ], [ 0.02605183, 0.00430537, -0.0132726 ], [ -0.00929736, -0.02471423, -0.0132726 ], [ 0.05699328, -0.01455859, -0.03066536 ], [ -0.04110475, -0.04207833, -0.03066536 ], [ -0.01588853, 0.05663692, -0.03066536 ], [ -0.02175942, -0.004268, 0.02009015 ], [ 0.00718351, 0.02097821, 0.02009015 ], [ 0.01457591, -0.01671021, 0.02009015 ], [ -0.01511866, -0.01566543, -0.02053 ], [ -0.00600733, 0.02092585, -0.02053 ], [ 0.02112598, -0.00526043, -0.02053 ] ]
pbe
true
143
agm005266753-pbe-0
0
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.07888625, -7.06483821, 0 ], [ 4.07888624, 7.06483821, 0 ], [ 0, 0, 5.11142604 ] ]
agm005266753
[ [ 3.4017284391335667, -4.641813404403202, 5.09685091087546 ], [ 2.4369799420412, -0.6250765380867551, 5.09685091087546 ], [ 6.397950358825234, -1.7979482675100433, 5.09685091087546 ], [ 2.1500038206341894, 2.3414923337504723, 2.5917307347051204 ], [ 5.031676176125121, 4.032134116008084, 2.5917307347051204 ], [ 5.05497873324069, 0.6912117602414423, 2.5917307347051204 ], [ 4.078886243333333, 2.354946117098921, 0.0186290011168632 ], [ 4.078886246666666, -2.354946117098921, 2.6995171134954536 ], [ 0, 0, 2.3100178620517067 ], [ 4.078886246666666, -2.354946117098921, 0.8881026584252003 ], [ 0, 0, 3.943588681913126 ], [ 5.601278773572295, 1.8474648707433485, 3.9009077122222617 ], [ 2.87819836835943, 1.2902560650855186, 3.9009077122222617 ], [ 3.757181588068277, 3.9271172741711338, 3.9009077122222617 ], [ 3.8456210215976316, 0.7568359120000192, 1.2196593976506322 ], [ 2.811514858276497, 3.3560147576895183, 1.2196593976506322 ], [ 5.579522850125872, 2.951987540310462, 1.2196593976506322 ], [ 6.6548222160763055, 0.0902338798276725, 1.616080235552185 ], [ 0.8296199683047225, 1.2564761770198425, 1.616080235552185 ], [ 4.752216545618972, 5.718128153152485, 1.616080235552185 ], [ 4.802466838071261, -0.8938884746453621, 3.585730435513489 ], [ 4.982408905418239, -3.712113971355171, 3.585730435513489 ], [ 2.4517829965104987, -2.458835622702703, 3.585730435513489 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 12.56627664, 0.00000115, 0 ], [ -0.00000115, 12.56627664, 0 ], [ 0, 0, 11.4600536 ] ]
-162.06106
-171.67906
[ [ 0.05756404, -0.02635434, 0.00886387 ], [ -0.05160555, -0.03667475, 0.00886387 ], [ -0.00595849, 0.0630291, 0.00886387 ], [ -0.06016541, -0.01478081, 0.02303943 ], [ 0.01728215, 0.05949518, 0.02303943 ], [ 0.04288326, -0.04471437, 0.02303943 ], [ 0, 0, 0.02609245 ], [ 0, 0, 0.00224187 ], [ 0, 0, 0.22755155 ], [ 0, 0, -0.10539887 ], [ 0, 0, -0.08062657 ], [ 0.00775091, 0.05560201, -0.00886206 ], [ 0.04427729, -0.03451349, -0.00886206 ], [ -0.05202821, -0.02108852, -0.00886206 ], [ 0.0184417, -0.01492026, -0.04198026 ], [ -0.02214217, -0.00851085, -0.04198026 ], [ 0.00370048, 0.02343111, -0.04198026 ], [ -0.07525717, 0.00119261, -0.06052956 ], [ 0.03866141, 0.06457831, -0.06052956 ], [ 0.03659575, -0.06577092, -0.06052956 ], [ -0.00055178, 0.04162826, 0.05618177 ], [ 0.03632702, -0.02033627, 0.05618177 ], [ -0.03577524, -0.02129198, 0.05618177 ] ]
pbe
true
143
agm005266753-pbe-1
1
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.09394972, -7.09092889, 0 ], [ 4.09394969, 7.0909289, 0 ], [ 0, 0, 5.11813171 ] ]
agm005266753
[ [ 3.414095735596976, -4.657965524954248, 5.10637730635218 ], [ 2.4469350715956915, -0.6277108628579198, 5.10637730635218 ], [ 6.4208183228073334, -1.805252492187833, 5.10637730635218 ], [ 2.153933377523027, 2.349367982307809, 2.5980837785472337 ], [ 5.0515953577602435, 4.0508838834256125, 2.5980837785472337 ], [ 5.0763203647167305, 0.6906770442665797, 2.5980837785472337 ], [ 4.0939497, 2.3636430172728597, 0.025844722608084403 ], [ 4.09394971, -2.3636430072728594, 2.7041590031270335 ], [ 0, 0, 2.313635010302711 ], [ 4.09394971, -2.3636430072728594, 0.8860613002612542 ], [ 0, 0, 3.943027401746059 ], [ 5.621351530087869, 1.8586701051747903, 3.9031632463018933 ], [ 2.8929294571206334, 1.2933606157300441, 3.9031632463018933 ], [ 3.7675681127914964, 3.9388981890951653, 3.9031632463018933 ], [ 3.867930436811522, 0.7567786819499451, 1.2163625915945935 ], [ 2.81537403798691, 3.3628135389987777, 1.2163625915945935 ], [ 5.598544625201568, 2.9713366890512773, 1.2163625915945935 ], [ 6.678826603016576, 0.0888817527563468, 1.6177993113070268 ], [ 0.8315102085183388, 1.2624545868956785, 1.6177993113070268 ], [ 4.771512288465084, 5.7395927121665515, 1.6177993113070268 ], [ 4.819138611365144, -0.8969942738542978, 3.5928226686375546 ], [ 5.00151028009469, -3.7249993155376435, 3.5928226686375546 ], [ 2.4612002385401657, -2.4689352906080586, 3.5928226686375546 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -2.06150378, 0.00000127, 0 ], [ -0.00000127, -2.06150378, 0 ], [ 0, 0, -0.07820927 ] ]
-162.072263
-171.690263
[ [ -0.01818456, 0.00088927, -0.02989695 ], [ 0.00986241, 0.01530366, -0.02989695 ], [ 0.00832215, -0.01619293, -0.02989695 ], [ -0.01602203, 0.017948, 0.02934737 ], [ 0.02355444, 0.00490148, 0.02934737 ], [ -0.00753241, -0.02284948, 0.02934737 ], [ 0, 0, -0.07981097 ], [ 0, 0, 0.02503603 ], [ 0, 0, -0.00297241 ], [ 0, 0, 0.01745596 ], [ 0, 0, 0.03731808 ], [ 0.0158871, 0.02831102, 0.00088031 ], [ 0.01657451, -0.02791414, 0.00088031 ], [ -0.03246161, -0.00039688, 0.00088031 ], [ 0.04990039, -0.01126805, -0.00054669 ], [ -0.03470861, -0.03758098, -0.00054669 ], [ -0.01519178, 0.04884903, -0.00054669 ], [ 0.0531353, -0.00753379, -0.00970597 ], [ -0.0330921, -0.04224962, -0.00970597 ], [ -0.0200432, 0.04978341, -0.00970597 ], [ 0.00254703, -0.01713178, 0.01091303 ], [ -0.01611007, 0.0063601, 0.01091303 ], [ 0.01356305, 0.01077168, 0.01091303 ] ]
pbe
true
143
agm005266753-pbe-10
10
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08599598, -7.07714779, 0 ], [ 4.08599179, 7.07715021, 0 ], [ 0, 0, 5.09837841 ] ]
agm005266753
[ [ 3.4169062605655784, -4.703898116366547, 0.10972225274539409 ], [ 2.3898393282026995, -0.6071760720513955, 0.10972225274539409 ], [ 6.45123816123168, -1.766071040039078, 0.10972225274539409 ], [ 2.1640201173512494, 2.348557915122472, 2.6400293583850383 ], [ 5.03789255023939, 4.028774858917494, 2.6400293583850383 ], [ 5.056066892409358, 0.699819855960035, 2.6400293583850383 ], [ 4.085993186666652, 2.3590509238476605, 0.0262042374814452 ], [ 4.085994583333347, -2.35904850384766, 2.7169557821702663 ], [ 0, 0, 2.336617925411301 ], [ 4.085994583333347, -2.35904850384766, 0.8838755805739444 ], [ 0, 0, 3.9636696984000452 ], [ 5.633443433779707, 1.988574804645891, 3.8316835409111585 ], [ 2.9914263727245323, 1.2041576891087484, 3.8316835409111585 ], [ 3.633109753495759, 3.884420136245361, 3.8316835409111585 ], [ 3.9859394087583153, 0.7188654916766626, 1.148443895987847 ], [ 2.715577863660125, 3.2657926823172225, 1.148443895987847 ], [ 5.556462287581558, 3.0924944560061145, 1.148443895987847 ], [ 6.715645764933829, 0.31285719751036467, 1.6006486987493092 ], [ 0.9991111880069535, 1.1048017827927006, 1.6006486987493092 ], [ 4.543222607059216, 5.659493649696935, 1.6006486987493092 ], [ 5.03727696346074, -0.9708943205587999, 3.5051989375889088 ], [ 4.812530140815497, -3.876960230992007, 3.5051989375889088 ], [ 2.4081766457237626, -2.229290818449192, 3.5051989375889088 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.36020525, 0.00000196, 0 ], [ -0.00000196, 0.36020525, 0 ], [ 0, 0, 0.59071224 ] ]
-162.109086
-171.727086
[ [ 0.00825592, -0.00230422, 0.00153896 ], [ -0.00612348, -0.00599773, 0.00153896 ], [ -0.00213245, 0.00830195, 0.00153896 ], [ -0.00307175, 0.00224939, 0.00828754 ], [ 0.00348391, 0.00153552, 0.00828754 ], [ -0.00041216, -0.00378491, 0.00828754 ], [ 0, 0, 0.00000645 ], [ 0, 0, 0.00633359 ], [ 0, 0, -0.0224514 ], [ 0, 0, -0.00740426 ], [ 0, 0, 0.02067134 ], [ -0.00402542, 0.00414753, -0.00723996 ], [ 0.00560458, 0.00141235, -0.00723996 ], [ -0.00157916, -0.00555988, -0.00723996 ], [ 0.00135231, 0.00006707, 0.00085756 ], [ -0.00061807, -0.00120467, 0.00085756 ], [ -0.00073424, 0.0011376, 0.00085756 ], [ -0.0059735, -0.00038282, -0.00344221 ], [ 0.00265522, 0.00536461, -0.00344221 ], [ 0.00331828, -0.00498179, -0.00344221 ], [ 0.00738502, 0.00192847, 0.0009462 ], [ -0.0020224, -0.00735986, 0.0009462 ], [ -0.00536262, 0.00543138, 0.0009462 ] ]
pbe
true
143
agm005266753-pbe-100
100
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08606186, -7.07726186, 0 ], [ 4.08605763, 7.0772643, 0 ], [ 0, 0, 5.0984884 ] ]
agm005266753
[ [ 3.417195030939657, -4.704041661775303, 0.11004908764306 ], [ 2.389702395131758, -0.6073544340387298, 0.11004908764306 ], [ 6.4512839239285835, -1.7658633241859665, 0.11004908764306 ], [ 2.164071172182565, 2.348758979644821, 2.640296115925124 ], [ 5.038106988467273, 4.028744199216213, 2.640296115925124 ], [ 5.055998959350163, 0.6997635611389663, 2.640296115925124 ], [ 4.086059039999986, 2.3590889605150878, 0.026532125754528 ], [ 4.086060450000014, -2.3590865205150875, 2.7172019188902596 ], [ 0, 0, 2.3366907678482 ], [ 4.086060450000014, -2.3590865205150875, 0.883954964004676 ], [ 0, 0, 3.9641055768548195 ], [ 5.633739269053089, 1.9890249979727277, 3.831491548266156 ], [ 2.991734133196174, 1.2037905467859993, 3.831491548266156 ], [ 3.6327037177506942, 3.8844513367865354, 3.831491548266156 ], [ 3.9864550819315836, 0.7187213895015896, 1.148103467248188 ], [ 2.7152610307480027, 3.265532304394105, 1.148103467248188 ], [ 5.5564610073203715, 3.093013187649567, 1.148103467248188 ], [ 6.715842881644149, 0.31350083848534993, 1.600870191955512 ], [ 0.9996358810160202, 1.1044233382613569, 1.600870191955512 ], [ 4.54269835733983, 5.659342563253293, 1.600870191955512 ], [ 5.038055854208872, -0.9711534869857874, 3.5048770789342196 ], [ 4.812047973231195, -3.877505171032011, 3.5048770789342196 ], [ 2.408077522559934, -2.228600761982202, 3.5048770789342196 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.24739538, 0.00000199, 0 ], [ -0.00000199, 0.24739538, 0 ], [ 0, 0, 0.37679079 ] ]
-162.109122
-171.727122
[ [ 0.0058949, -0.00316348, 0.0011855 ], [ -0.00568711, -0.00352339, 0.0011855 ], [ -0.00020779, 0.00668687, 0.0011855 ], [ 0.00015769, 0.00120137, 0.00805404 ], [ 0.00096157, -0.00073725, 0.00805404 ], [ -0.00111927, -0.00046412, 0.00805404 ], [ 0, 0, -0.00510932 ], [ 0, 0, 0.00277586 ], [ 0, 0, -0.0111274 ], [ 0, 0, -0.00738958 ], [ 0, 0, 0.01145955 ], [ -0.00627, 0.00434708, -0.00645926 ], [ 0.00689968, 0.00325644, -0.00645926 ], [ -0.00062968, -0.00760352, -0.00645926 ], [ 0.00149747, -0.00039557, 0.00244635 ], [ -0.00109131, -0.00109906, 0.00244635 ], [ -0.00040616, 0.00149463, 0.00244635 ], [ -0.00407674, -0.00138283, -0.00448823 ], [ 0.00084081, 0.00422198, -0.00448823 ], [ 0.00323594, -0.00283915, -0.00448823 ], [ 0.00649877, 0.00079998, 0.00239189 ], [ -0.00255658, -0.00602809, 0.00239189 ], [ -0.00394219, 0.00522811, 0.00239189 ] ]
pbe
true
143
agm005266753-pbe-101
101
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08616675, -7.07744349, 0 ], [ 4.08616248, 7.07744596, 0 ], [ 0, 0, 5.09866352 ] ]
agm005266753
[ [ 3.4176548337574433, -4.704270101763717, 0.11056956610808479 ], [ 2.3894843991699415, -0.6076383904287674, 0.11056956610808479 ], [ 6.451356747072616, -1.7655325278075162, 0.11056956610808479 ], [ 2.1641524907461793, 2.349079225361744, 2.6407208677587377 ], [ 5.038448476277484, 4.0286953836298345, 2.6407208677587377 ], [ 5.055890742976294, 0.6996739625573172, 2.6407208677587377 ], [ 4.086163903333319, 2.359149523849632, 0.027054222450012797 ], [ 4.086165326666681, -2.359147053849632, 2.7175937745562235 ], [ 0, 0, 2.336806768814235 ], [ 4.086165326666681, -2.359147053849632, 0.8840813334246144 ], [ 0, 0, 3.964799578490019 ], [ 5.634210339477965, 1.989741631917715, 3.831185888790401 ], [ 2.99222410674639, 1.2032058582108422, 3.831185888790401 ], [ 3.632057263775643, 3.8845009398714425, 3.831185888790401 ], [ 3.9872760682285264, 0.7184918573591474, 1.1475615010564608 ], [ 2.714756644451131, 3.2651176628719263, 1.1475615010564608 ], [ 5.556458997320343, 3.093838909768927, 1.1475615010564608 ], [ 6.716156707678728, 0.3145256551508213, 1.6012228887036464 ], [ 1.0004713301643715, 1.103820804869406, 1.6012228887036464 ], [ 4.5418636721569, 5.659101969979773, 1.6012228887036464 ], [ 5.039296106775924, -0.9715660962365669, 3.5043646673431486 ], [ 4.81128025374138, -3.878372930327016, 3.5043646673431486 ], [ 2.4079196194826955, -2.2275019934364173, 3.5043646673431486 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.02103757, 0.00000205, 0 ], [ -0.00000205, 0.02103757, 0 ], [ 0, 0, -0.01025463 ] ]
-162.10915
-171.72715
[ [ 0.00253418, -0.00482908, 0.00069407 ], [ -0.00544919, 0.00021987, 0.00069407 ], [ 0.00291501, 0.00460921, 0.00069407 ], [ 0.00502738, -0.00049435, 0.00828149 ], [ -0.00294181, -0.00410666, 0.00828149 ], [ -0.00208557, 0.00460101, 0.00828149 ], [ 0, 0, -0.01421503 ], [ 0, 0, -0.00168078 ], [ 0, 0, 0.00685151 ], [ 0, 0, -0.00698436 ], [ 0, 0, -0.00319389 ], [ -0.00940837, 0.00459296, -0.00550912 ], [ 0.00868181, 0.00585141, -0.00550912 ], [ 0.00072656, -0.01044437, -0.00550912 ], [ 0.0021051, -0.00188018, 0.00473411 ], [ -0.00268083, -0.00088298, 0.00473411 ], [ 0.00057573, 0.00276316, 0.00473411 ], [ -0.00112815, -0.00286875, -0.00588226 ], [ -0.00192034, 0.00241139, -0.00588226 ], [ 0.00304849, 0.00045737, -0.00588226 ], [ 0.00580154, -0.00114923, 0.00408922 ], [ -0.00389603, -0.00444966, 0.00408922 ], [ -0.00190551, 0.00559889, 0.00408922 ] ]
pbe
true
143
agm005266753-pbe-102
102
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08618733, -7.07747912, 0 ], [ 4.08618305, 7.0774816, 0 ], [ 0, 0, 5.09869788 ] ]
agm005266753
[ [ 3.417745025210874, -4.704314874499967, 0.11067167335255558 ], [ 2.3894416356037675, -0.6076940326691804, 0.11067167335255558 ], [ 6.4513710491853145, -1.7654675912812445, 0.11067167335255558 ], [ 2.1641684530672, 2.34914201350247, 2.640804181899602 ], [ 5.038515481693443, 4.0286857365768505, 2.640804181899602 ], [ 5.055869495239357, 0.6996563299206775, 2.640804181899602 ], [ 4.086184476666652, 2.359161407183202, 0.027156633661477195 ], [ 4.086185903333347, -2.3591589271832025, 2.7176706725160966 ], [ 0, 0, 2.336829552806953 ], [ 4.086185903333347, -2.3591589271832025, 0.8841061054623708 ], [ 0, 0, 3.9649357154137292 ], [ 5.634302779269702, 1.989882307477901, 3.8311258961468395 ], [ 2.9923202834094176, 1.2030911074552513, 3.8311258961468395 ], [ 3.6319303673208796, 3.8845106650668475, 3.8311258961468395 ], [ 3.9874371590557005, 0.7184468575979781, 1.1474551256388408 ], [ 2.714657696486279, 3.2650362952747285, 1.1474551256388408 ], [ 5.55645857445802, 3.094000927127295, 1.1474551256388408 ], [ 6.716218311213541, 0.3147266904033428, 1.6012920594688775 ], [ 1.0006352379613206, 1.1037025079820295, 1.6012920594688775 ], [ 4.54169988082518, 5.65905474006502, 1.6012920594688775 ], [ 5.039539398027931, -0.9716470647700142, 3.50426407904951 ], [ 4.81112963482002, -3.8785431317007486, 3.50426407904951 ], [ 2.407888677152048, -2.2272864435292363, 3.50426407904951 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.02724193, 0.00000199, 0 ], [ -0.00000199, -0.02724193, 0 ], [ 0, 0, -0.09084651 ] ]
-162.109151
-171.727151
[ [ 0.00191383, -0.00530127, 0.00088175 ], [ -0.00554795, 0.00099321, 0.00088175 ], [ 0.00363412, 0.00430806, 0.00088175 ], [ 0.00591786, -0.0008364, 0.00797739 ], [ -0.00368327, -0.00470682, 0.00797739 ], [ -0.00223459, 0.00554322, 0.00797739 ], [ 0, 0, -0.01566933 ], [ 0, 0, -0.00306299 ], [ 0, 0, 0.01040524 ], [ 0, 0, -0.00635867 ], [ 0, 0, -0.00620338 ], [ -0.00998417, 0.00433816, -0.00539953 ], [ 0.00874904, 0.00647746, -0.00539953 ], [ 0.00123513, -0.01081562, -0.00539953 ], [ 0.00231975, -0.00209535, 0.00536297 ], [ -0.0029745, -0.00096129, 0.00536297 ], [ 0.00065475, 0.00305663, 0.00536297 ], [ -0.00062631, -0.00316342, -0.00608688 ], [ -0.00242645, 0.00212411, -0.00608688 ], [ 0.00305275, 0.00103931, -0.00608688 ], [ 0.00543951, -0.00151182, 0.00422735 ], [ -0.00402903, -0.00395485, 0.00422735 ], [ -0.00141049, 0.00546666, 0.00422735 ] ]
pbe
true
143
agm005266753-pbe-103
103
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08621218, -7.07752213, 0 ], [ 4.08620787, 7.07752462, 0 ], [ 0, 0, 5.09869479 ] ]
agm005266753
[ [ 3.417955857203646, -4.704493859183879, 0.1108998238602177 ], [ 2.3892309275600727, -0.6077871831128578, 0.1108998238602177 ], [ 6.451445445236282, -1.7652385977032639, 0.1108998238602177 ], [ 2.1643109299872765, 2.349245399651336, 2.641098866628581 ], [ 5.038558600082043, 4.028553673175411, 2.641098866628581 ], [ 5.0557583899306815, 0.699728037173255, 2.641098866628581 ], [ 4.086209306666652, 2.3591757505168234, 0.0270542863991148 ], [ 4.086210743333348, -2.359173260516823, 2.717729190105407 ], [ 0, 0, 2.3370516633811764 ], [ 4.086210743333348, -2.359173260516823, 0.8840170053327815 ], [ 0, 0, 3.965036000228717 ], [ 5.634269514900201, 1.9902526725377787, 3.8308369767083237 ], [ 2.9926824856327956, 1.2029777515029298, 3.8308369767083237 ], [ 3.6316759194670034, 3.884296685959292, 3.8308369767083237 ], [ 3.9878007930122124, 0.7183081215750864, 1.1473252802994507 ], [ 2.7143805537233696, 3.264833766719822, 1.1473252802994507 ], [ 5.55644657326442, 3.094385221705092, 1.1473252802994507 ], [ 6.7163042420037495, 0.3150793735045614, 1.6012901712614436 ], [ 1.0009224894581055, 1.1034948391107868, 1.6012901712614436 ], [ 4.541401188538146, 5.658952897384652, 1.6012901712614436 ], [ 5.0401318424515305, -0.9718412967450814, 3.5040890585951945 ], [ 4.8107149174977994, -3.8789591473588567, 3.5040890585951945 ], [ 2.4077854700507153, -2.22671933744653, 3.5040890585951945 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.12828469, 0.00000205, 0 ], [ -0.00000205, -0.12828469, 0 ], [ 0, 0, -0.13607316 ] ]
-162.10918
-171.72718
[ [ -0.000812, -0.00431896, 0.00218903 ], [ -0.00333433, 0.00286269, 0.00218903 ], [ 0.00414633, 0.00145627, 0.00218903 ], [ 0.00493339, 0.00089177, 0.00407922 ], [ -0.0016944, -0.00471832, 0.00407922 ], [ -0.00323899, 0.00382655, 0.00407922 ], [ 0, 0, -0.01225461 ], [ 0, 0, -0.00370433 ], [ 0, 0, 0.00107104 ], [ 0, 0, -0.00458148 ], [ 0, 0, -0.00291331 ], [ -0.00743715, 0.00637311, -0.00232851 ], [ 0.00923785, 0.0032542, -0.00232851 ], [ -0.0018007, -0.00962732, -0.00232851 ], [ 0.00139315, -0.00238432, 0.00356299 ], [ -0.00276146, -0.00001434, 0.00356299 ], [ 0.00136831, 0.00239866, 0.00356299 ], [ 0.00212674, -0.00358948, -0.0036518 ], [ -0.00417195, -0.00004707, -0.0036518 ], [ 0.00204521, 0.00363655, -0.0036518 ], [ 0.00488053, -0.0022013, 0.00360996 ], [ -0.00434664, -0.00312602, 0.00360996 ], [ -0.00053389, 0.00532731, 0.00360996 ] ]
pbe
true
143
agm005266753-pbe-104
104
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08628673, -7.07765116, 0 ], [ 4.08628234, 7.07765369, 0 ], [ 0, 0, 5.09868552 ] ]
agm005266753
[ [ 3.418588204454406, -4.705030681789514, 0.11158422273664799 ], [ 2.388598871223137, -0.6080663553724557, 0.11158422273664799 ], [ 6.451668724322458, -1.764551592838031, 0.11158422273664799 ], [ 2.1647383744862436, 2.3495554273541153, 2.6419829186607986 ], [ 5.038687842586259, 4.028157551340906, 2.6419829186607986 ], [ 5.0554251929274985, 0.6999432413049798, 2.6419829186607986 ], [ 4.08628380333332, 2.3592187871843495, 0.026747194369368003 ], [ 4.086285266666682, -2.3592162571843502, 2.7179045894752276 ], [ 0, 0, 2.337717942491405 ], [ 4.086285266666682, -2.3592162571843502, 0.8837496546012384 ], [ 0, 0, 3.9653368539268894 ], [ 5.634169766022916, 1.9913638729227823, 3.8299703224507535 ], [ 2.9937691627719647, 1.2026376085864317, 3.8299703224507535 ], [ 3.63091248120512, 3.8836547384907854, 3.8299703224507535 ], [ 3.9888916433012183, 0.7178919084621929, 1.1469356942336617 ], [ 2.713549150513725, 3.2642262412352787, 1.1469356942336617 ], [ 5.556410616185058, 3.095538070302528, 1.1469356942336617 ], [ 6.716561923508878, 0.3161372445029018, 1.6012843536852504 ], [ 1.00178426646558, 1.1028718188710065, 1.6012843536852504 ], [ 4.540505220025542, 5.65864715662609, 1.6012843536852504 ], [ 5.041909181321355, -0.9724239301387327, 3.5035639475027733 ], [ 4.8094706545791865, -3.8802069367120846, 3.5035639475027733 ], [ 2.4074759640994605, -2.225017763149184, 3.5035639475027733 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.40448655, 0.00000202, 0 ], [ -0.00000202, -0.40448655, 0 ], [ 0, 0, -0.24900505 ] ]
-162.109211
-171.727211
[ [ -0.0080938, -0.0016638, 0.00693304 ], [ 0.00260601, 0.00784133, 0.00693304 ], [ 0.00548779, -0.00617754, 0.00693304 ], [ 0.00228379, 0.00649486, -0.00860628 ], [ 0.00448282, -0.00522524, -0.00860628 ], [ -0.0067666, -0.00126961, -0.00860628 ], [ 0, 0, -0.00019096 ], [ 0, 0, -0.00770244 ], [ 0, 0, -0.02703198 ], [ 0, 0, 0.00175057 ], [ 0, 0, 0.00635836 ], [ -0.00074614, 0.0119725, 0.00618497 ], [ 0.01074156, -0.00534007, 0.00618497 ], [ -0.00999541, -0.00663243, 0.00618497 ], [ -0.00145875, -0.00300895, -0.00050038 ], [ -0.00187645, 0.00276779, -0.00050038 ], [ 0.0033352, 0.00024116, -0.00050038 ], [ 0.01002537, -0.00564297, 0.00357192 ], [ -0.00989964, -0.00586075, 0.00357192 ], [ -0.00012574, 0.01150371, 0.00357192 ], [ 0.00241924, -0.00370634, 0.00135554 ], [ -0.00441941, -0.00024195, 0.00135554 ], [ 0.00200017, 0.0039483, 0.00135554 ] ]
pbe
true
143
agm005266753-pbe-105
105
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08621138, -7.07752063, 0 ], [ 4.08620697, 7.07752317, 0 ], [ 0, 0, 5.09861162 ] ]
agm005266753
[ [ 3.4186053772294005, -4.705064296742414, 0.11179639022776461 ], [ 2.3884104553451904, -0.6080644101665342, 0.11179639022776461 ], [ 6.45161389742541, -1.7643893830910535, 0.11179639022776461 ], [ 2.1648080407514003, 2.349622367693218, 2.6420980431643057 ], [ 5.0386355703054475, 4.027933298183765, 2.6420980431643057 ], [ 5.055181708943108, 0.6999701856734539, 2.6420980431643057 ], [ 4.086208439999986, 2.359175283850146, 0.026671500203730596 ], [ 4.086209910000015, -2.359172743850147, 2.7178543363088226 ], [ 0, 0, 2.3376548957086025 ], [ 4.086209910000015, -2.359172743850147, 0.8836851966583398 ], [ 0, 0, 3.9653984331864445 ], [ 5.634011837025683, 1.9916705567621387, 3.829751349633714 ], [ 2.994038312755595, 1.2024905860195745, 3.829751349633714 ], [ 3.6305751702186786, 3.8833647087687244, 3.829751349633714 ], [ 3.9890530354865366, 0.7177541097989324, 1.1468221970051946 ], [ 2.713273747725784, 3.2640248495704496, 1.1468221970051946 ], [ 5.556298536787679, 3.0957467506306178, 1.1468221970051946 ], [ 6.716541313447415, 0.3163449514720389, 1.6012856691009896 ], [ 1.001899122880545, 1.1026552214656964, 1.6012856691009896 ], [ 4.540184883672084, 5.658525395511827, 1.6012856691009896 ], [ 5.042239203322262, -0.9725682073154625, 3.5033977855050358 ], [ 4.809029976984755, -3.880420596849804, 3.5033977855050358 ], [ 2.4073605496929833, -2.224529285834734, 3.5033977855050358 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.43411299, 0.00000201, 0 ], [ -0.00000201, -0.43411299, 0 ], [ 0, 0, -0.30210324 ] ]
-162.109229
-171.727229
[ [ -0.00845379, -0.00136265, 0.00647258 ], [ 0.00304681, 0.00800252, 0.00647258 ], [ 0.00540698, -0.00663988, 0.00647258 ], [ 0.00105627, 0.006033, -0.00832876 ], [ 0.00469659, -0.00393125, -0.00832876 ], [ -0.00575286, -0.00210174, -0.00832876 ], [ 0, 0, 0.00145213 ], [ 0, 0, -0.00609931 ], [ 0, 0, -0.02078998 ], [ 0, 0, 0.00129906 ], [ 0, 0, 0.00354462 ], [ 0.00137865, 0.01177682, 0.00677799 ], [ 0.0095097, -0.00708236, 0.00677799 ], [ -0.01088835, -0.00469447, 0.00677799 ], [ -0.00243022, -0.00245215, -0.00211698 ], [ -0.00090852, 0.00333071, -0.00211698 ], [ 0.00333874, -0.00087856, -0.00211698 ], [ 0.00788471, -0.00473101, 0.00287695 ], [ -0.00803953, -0.00446286, 0.00287695 ], [ 0.00015482, 0.00919387, 0.00287695 ], [ 0.00190623, -0.00351003, 0.00118271 ], [ -0.00399289, 0.00010418, 0.00118271 ], [ 0.00208667, 0.00340586, 0.00118271 ] ]
pbe
true
143
agm005266753-pbe-106
106
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08598533, -7.07712903, 0 ], [ 4.08598086, 7.07713161, 0 ], [ 0, 0, 5.09838991 ] ]
agm005266753
[ [ 3.418656877804578, -4.705164965906965, 0.1124329062809633 ], [ 2.3878453213807953, -0.6080585691474218, 0.1124329062809633 ], [ 6.451449320814582, -1.7639027734030064, 0.1124329062809633 ], [ 2.165016933571567, 2.3498228822131138, 2.642443282840322 ], [ 5.038478703607766, 4.027260504451828, 2.642443282840322 ], [ 5.054451412820667, 0.7000508033350581, 2.642443282840322 ], [ 4.085982349999985, 2.35904477718087, 0.0264444307529862 ], [ 4.085983840000015, -2.359042197180869, 2.7177034714001813 ], [ 0, 0, 2.3374657558479774 ], [ 4.085983840000015, -2.359042197180869, 0.8834917790961448 ], [ 0, 0, 3.9655830914963217 ], [ 5.633538021123508, 1.9925903254545898, 3.8290945030869046 ], [ 2.9948456909237264, 1.2020494072262213, 3.8290945030869046 ], [ 3.6295633379527668, 3.88249445731919, 3.8290945030869046 ], [ 3.9895371191864406, 0.7173405334407361, 1.1464817709041795 ], [ 2.712447425798236, 3.263420848376497, 1.1464817709041795 ], [ 5.555962505015324, 3.0963728081827666, 1.1464817709041795 ], [ 6.716479542126813, 0.31696831620592114, 1.601289505974126 ], [ 1.0022437034806144, 1.102005543904414, 1.601289505974126 ], [ 4.539223804392573, 5.658160329889665, 1.601289505974126 ], [ 5.043229257432191, -0.9730009960810166, 3.502899312709508 ], [ 4.807707981244615, -3.881061576292411, 3.502899312709508 ], [ 2.4070142813231943, -2.2230638776265725, 3.502899312709508 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.24018185, 0.0000021, 0 ], [ -0.0000021, -0.24018185, 0 ], [ 0, 0, -0.19104563 ] ]
-162.109267
-171.727267
[ [ -0.00939081, 0.00001231, 0.00596731 ], [ 0.00470606, 0.00812653, 0.00596731 ], [ 0.00468475, -0.00813884, 0.00596731 ], [ -0.00209816, 0.00554746, -0.00843975 ], [ 0.00585332, -0.00095667, -0.00843975 ], [ -0.00375516, -0.00459079, -0.00843975 ], [ 0, 0, 0.00755558 ], [ 0, 0, -0.00371396 ], [ 0, 0, -0.00138932 ], [ 0, 0, 0.00323708 ], [ 0, 0, -0.00521153 ], [ 0.00460914, 0.0118928, 0.0072742 ], [ 0.0079949, -0.00993803, 0.0072742 ], [ -0.01260404, -0.00195477, 0.0072742 ], [ -0.00429691, -0.00020855, -0.00529506 ], [ 0.00196785, 0.00382551, -0.00529506 ], [ 0.00232906, -0.00361696, -0.00529506 ], [ -0.00109902, -0.00204283, 0.00190562 ], [ -0.00121963, 0.0019732, 0.00190562 ], [ 0.00231866, 0.00006963, 0.00190562 ], [ 0.00017104, -0.0024532, -0.00157159 ], [ -0.00221005, 0.00107848, -0.00157159 ], [ 0.00203902, 0.00137472, -0.00157159 ] ]
pbe
true
143
agm005266753-pbe-107
107
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08553323, -7.07634584, 0 ], [ 4.08552865, 7.07634849, 0 ], [ 0, 0, 5.09794649 ] ]
agm005266753
[ [ 3.4187597999403687, -4.705366474944611, 0.1137057710406527 ], [ 2.386715077124294, -0.6080469520025389, 0.1137057710406527 ], [ 6.451120232935337, -1.76292976305285, 0.1137057710406527 ], [ 2.165434655254276, 2.3502238713158183, 2.643133744095317 ], [ 5.038164897901643, 4.025915133813694, 2.643133744095317 ], [ 5.052990976844081, 0.7002121348704877, 2.643133744095317 ], [ 4.085530176666651, 2.3587837605089814, 0.025990350795317998 ], [ 4.0855317033333485, -2.358781110508982, 2.717401852068795 ], [ 0, 0, 2.3370874989539896 ], [ 4.0855317033333485, -2.358781110508982, 0.8831049844116591 ], [ 0, 0, 3.9659524169035953 ], [ 5.632590492262326, 1.9944297277212137, 3.8277808359654593 ], [ 2.9964602104638707, 1.2011671712311474, 3.8277808359654593 ], [ 3.627539827273803, 3.8807542410476388, 3.8277808359654593 ], [ 3.990505139717119, 0.7165135004906662, 1.1458008925547365 ], [ 2.7107950120603976, 3.262212843998633, 1.1458008925547365 ], [ 5.555290378222528, 3.097624653983757, 1.1458008925547365 ], [ 6.716355945907292, 0.3182147541790705, 1.6012972625102817 ], [ 1.0029327747568682, 1.1007061714832567, 1.6012972625102817 ], [ 4.537301809335885, 5.65743007281073, 1.6012972625102817 ], [ 5.045208990710568, -0.9738664896506677, 3.501902406450339 ], [ 4.8050643026233395, -3.882343330520265, 3.501902406450339 ], [ 2.406321816666138, -2.2201335113560106, 3.501902406450339 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.05978699, 0.00000207, 0 ], [ -0.00000207, 0.05978699, 0 ], [ 0, 0, -0.05080599 ] ]
-162.109243
-171.727243
[ [ -0.0112645, 0.00307499, 0.00366017 ], [ 0.00829527, 0.00821784, 0.00366017 ], [ 0.00296923, -0.01129284, 0.00366017 ], [ -0.00823306, 0.0048941, -0.00771394 ], [ 0.00835494, 0.00468299, -0.00771394 ], [ -0.00012188, -0.00957709, -0.00771394 ], [ 0, 0, 0.01858415 ], [ 0, 0, 0.00136667 ], [ 0, 0, 0.0372629 ], [ 0, 0, 0.00462207 ], [ 0, 0, -0.0216589 ], [ 0.01262085, 0.01244183, 0.00942553 ], [ 0.00446452, -0.0171509, 0.00942553 ], [ -0.01708537, 0.00470906, 0.00942553 ], [ -0.00791733, 0.00247351, -0.01335852 ], [ 0.00610079, 0.00561985, -0.01335852 ], [ 0.00181654, -0.00809337, -0.01335852 ], [ -0.01788558, 0.00317924, -0.00034954 ], [ 0.01169609, 0.01389975, -0.00034954 ], [ 0.00618949, -0.01707898, -0.00034954 ], [ -0.00222946, -0.00080982, -0.00505599 ], [ 0.0004134, 0.00233568, -0.00505599 ], [ 0.00181606, -0.00152586, -0.00505599 ] ]
pbe
true
143
agm005266753-pbe-108
108
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08582732, -7.0768553, 0 ], [ 4.08582281, 7.0768579, 0 ], [ 0, 0, 5.09823493 ] ]
agm005266753
[ [ 3.4186928025340744, -4.70523540869677, 0.1128777253794115 ], [ 2.3874503334419748, -0.6080545070313261, 0.1128777253794115 ], [ 6.451334314023951, -1.7635627842719037, 0.1128777253794115 ], [ 2.165162897444514, 2.349962992831393, 2.6426845549527016 ], [ 5.038369012889452, 4.026790331012816, 2.6426845549527016 ], [ 5.053941029666033, 0.7001071761557904, 2.6426845549527016 ], [ 4.085824313333318, 2.3589535471790444, 0.0262857345638405 ], [ 4.085825816666682, -2.3589509471790446, 2.7175980699964706 ], [ 0, 0, 2.337333574119794 ], [ 4.085825816666682, -2.3589509471790446, 0.8833566363515496 ], [ 0, 0, 3.9657121559498623 ], [ 5.633206872737481, 1.9932331303229498, 3.828635403563459 ], [ 2.9954099032878236, 1.20174107981807, 3.828635403563459 ], [ 3.6288561639746946, 3.881886289858979, 3.828635403563459 ], [ 3.9898754044603493, 0.717051521504545, 1.146243806664295 ], [ 2.711869943142834, 3.262998682426871, 1.146243806664295 ], [ 5.555727592396817, 3.096810296068585, 1.146243806664295 ], [ 6.716436322398989, 0.317403896993933, 1.6012922204528202 ], [ 1.0024844897304455, 1.101551476085139, 1.6012922204528202 ], [ 4.538552127870565, 5.657905126920928, 1.6012922204528202 ], [ 5.043921036058606, -0.9733033938928775, 3.502550920917228 ], [ 4.806784148920563, -3.8815094524559397, 3.502550920917228 ], [ 2.4067722650208316, -2.222039853651183, 3.502550920917228 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.14107406, 0.00000203, 0 ], [ -0.00000203, -0.14107406, 0 ], [ 0, 0, -0.14752603 ] ]
-162.109273
-171.727273
[ [ -0.01014033, 0.00112942, 0.00509064 ], [ 0.00604827, 0.00821707, 0.00509064 ], [ 0.00409206, -0.00934649, 0.00509064 ], [ -0.00394617, 0.00557366, -0.00816602 ], [ 0.00680001, 0.00063065, -0.00816602 ], [ -0.00285385, -0.00620431, -0.00816602 ], [ 0, 0, 0.01107771 ], [ 0, 0, -0.00236316 ], [ 0, 0, 0.01204874 ], [ 0, 0, 0.00336859 ], [ 0, 0, -0.01105679 ], [ 0.00794317, 0.01119638, 0.00832244 ], [ 0.00572477, -0.01247718, 0.00832244 ], [ -0.01366794, 0.0012808, 0.00832244 ], [ -0.00549812, 0.00070575, -0.00840825 ], [ 0.00336026, 0.00440864, -0.00840825 ], [ 0.00213787, -0.00511439, -0.00840825 ], [ -0.00713729, -0.00008172, 0.00112552 ], [ 0.00349787, 0.00622193, 0.00112552 ], [ 0.00363942, -0.00614021, 0.00112552 ], [ -0.00105599, -0.00171473, -0.0023227 ], [ -0.000957, 0.00177188, -0.0023227 ], [ 0.00201299, -0.00005715, -0.0023227 ] ]
pbe
true
143
agm005266753-pbe-109
109
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.09408602, -7.09116496, 0 ], [ 4.09408599, 7.09116498, 0 ], [ 0, 0, 5.11710698 ] ]
agm005266753
[ [ 3.4134030709565337, -4.657540751708382, 5.105415362801026 ], [ 2.4479219036624453, -0.6273234486743695, 5.105415362801026 ], [ 6.42093305538102, -1.8063008814405483, 5.105415362801026 ], [ 2.1532587366172002, 2.3498790460626, 2.5990759625167597 ], [ 5.052511530200437, 4.051448762034974, 2.5990759625167597 ], [ 5.076487733182363, 0.689837333725726, 2.5990759625167597 ], [ 4.094086, 2.3637217139410995, 0.0259003904924794 ], [ 4.09408601, -2.3637216939411005, 2.704414935819597 ], [ 0, 0, 2.313023439464244 ], [ 4.09408601, -2.3637216939411005, 0.8858705412844818 ], [ 0, 0, 3.9417850308647466 ], [ 5.621624207379358, 1.8604686890929556, 3.901694800374588 ], [ 2.894487032693647, 1.2924612626960148, 3.901694800374588 ], [ 3.766146759926995, 3.9382350482110304, 3.901694800374588 ], [ 3.8713555243528797, 0.7558356540977198, 1.2148200280056864 ], [ 2.8129811043733906, 3.3605549225697713, 1.2148200280056864 ], [ 5.5979213712737295, 2.974774423332509, 1.2148200280056864 ], [ 6.679761946485717, 0.08833749481291431, 1.6172397086400556 ], [ 0.8307075294918993, 1.2621526967219086, 1.6172397086400556 ], [ 4.771788524022384, 5.740674808465178, 1.6172397086400556 ], [ 4.819004772201739, -0.8974836386730431, 3.5926710723781543 ], [ 5.0014260327691895, -3.7246387847985605, 3.5926710723781543 ], [ 2.4618272250290714, -2.4690426583516967, 3.5926710723781543 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -1.42699696, 0.00000121, 0 ], [ -0.00000121, -1.42699696, 0 ], [ 0, 0, 0.59843605 ] ]
-162.073179
-171.691179
[ [ -0.0122176, -0.00083318, -0.01761712 ], [ 0.00538725, 0.01099734, -0.01761712 ], [ 0.00683035, -0.01016416, -0.01761712 ], [ -0.0164006, 0.01222897, 0.01415594 ], [ 0.0187909, 0.00808885, 0.01415594 ], [ -0.0023903, -0.02031782, 0.01415594 ], [ 0, 0, -0.06771133 ], [ 0, 0, -0.0024947 ], [ 0, 0, -0.00945381 ], [ 0, 0, 0.02762021 ], [ 0, 0, 0.05808491 ], [ 0.01306446, 0.02327485, -0.00624179 ], [ 0.01362439, -0.02295158, -0.00624179 ], [ -0.02668884, -0.00032327, -0.00624179 ], [ 0.04328044, -0.01159302, -0.00199288 ], [ -0.03168007, -0.03168544, -0.00199288 ], [ -0.01160036, 0.04327847, -0.00199288 ], [ 0.02418627, -0.00250929, -0.00751367 ], [ -0.01426624, -0.01969128, -0.00751367 ], [ -0.00992003, 0.02220057, -0.00751367 ], [ 0.00644124, -0.01180227, 0.01719443 ], [ -0.01344169, 0.00032285, 0.01719443 ], [ 0.00700044, 0.01147941, 0.01719443 ] ]
pbe
true
143
agm005266753-pbe-11
11
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08568399, -7.07660703, 0 ], [ 4.08567947, 7.07660965, 0 ], [ 0, 0, 5.09807307 ] ]
agm005266753
[ [ 3.4185110991325867, -4.705178327122964, 0.1131669750271293 ], [ 2.387303986954964, -0.6079257473822315, 0.1131669750271293 ], [ 6.451232363912493, -1.7635004770269695, 0.1131669750271293 ], [ 2.1651436487885687, 2.3500734685292697, 2.642642407580462 ], [ 5.038330967706543, 4.026503515604173, 2.642642407580462 ], [ 5.053568313504888, 0.7000352858665586, 2.642642407580462 ], [ 4.0856809766666515, 2.3588708038440562, 0.0263650927273506 ], [ 4.085682483333348, -2.3588681838440553, 2.717466927990314 ], [ 0, 0, 2.3374009413753196 ], [ 4.085682483333348, -2.3588681838440553, 0.8833233403153884 ], [ 0, 0, 3.96555143171871 ], [ 5.63306673791903, 1.9936764868860055, 3.8284639409820254 ], [ 2.995720579395926, 1.2013925124405767, 3.8284639409820254 ], [ 3.6282556126850434, 3.8815432706734185, 3.8284639409820254 ], [ 3.989899189121297, 0.7169080559157601, 1.1459878414305802 ], [ 2.7115904596447944, 3.26280156647151, 1.1459878414305802 ], [ 5.555553281233907, 3.09690264761273, 1.1459878414305802 ], [ 6.716205441908521, 0.31761172906854274, 1.6012826766306067 ], [ 1.0026365675694993, 1.1013992560178352, 1.6012826766306067 ], [ 4.538200920521979, 5.657601284913621, 1.6012826766306067 ], [ 5.044164956888504, -0.973460801129097, 3.5022877475222356 ], [ 4.806239192652233, -3.8816419741026205, 3.5022877475222356 ], [ 2.4066433004592622, -2.2215016347682814, 3.5022877475222356 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.05870711, 0.00000191, 0 ], [ -0.00000191, -0.05870711, 0 ], [ 0, 0, 0.0068163 ] ]
-162.109302
-171.727302
[ [ -0.00736527, 0.00147908, 0.00365821 ], [ 0.00496356, 0.00563897, 0.00365821 ], [ 0.00240171, -0.00711805, 0.00365821 ], [ -0.00304428, 0.0028454, -0.00335963 ], [ 0.00398633, 0.00121372, -0.00335963 ], [ -0.00094205, -0.00405912, -0.00335963 ], [ 0, 0, 0.00897378 ], [ 0, 0, 0.00011192 ], [ 0, 0, 0.00641847 ], [ 0, 0, 0.00158492 ], [ 0, 0, -0.0044259 ], [ 0.00632753, 0.00864017, 0.00356165 ], [ 0.00431884, -0.00979989, 0.00356165 ], [ -0.01064637, 0.00115972, 0.00356165 ], [ -0.00470882, 0.00148815, -0.00696038 ], [ 0.00364319, 0.00333388, -0.00696038 ], [ 0.00106563, -0.00482203, -0.00696038 ], [ -0.00580444, 0.00036884, 0.00130894 ], [ 0.00322165, 0.00484237, 0.00130894 ], [ 0.00258279, -0.00521122, 0.00130894 ], [ -0.00001139, -0.00079, -0.00242984 ], [ -0.00067847, 0.00040486, -0.00242984 ], [ 0.00068986, 0.00038514, -0.00242984 ] ]
pbe
true
143
agm005266753-pbe-110
110
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08529581, -7.07593461, 0 ], [ 4.08529122, 7.07593726, 0 ], [ 0, 0, 5.09763468 ] ]
agm005266753
[ [ 3.418019008367474, -4.705023544915555, 0.11395023170111399 ], [ 2.3869076123651594, -0.6075768707215217, 0.11395023170111399 ], [ 6.450956219267367, -1.7633315443629236, 0.11395023170111399 ], [ 2.1650914337383265, 2.350372664479524, 2.6425282288257224 ], [ 5.038227938022114, 4.025726743772504, 2.6425282288257224 ], [ 5.0525588782395605, 0.6998405017479712, 2.6425282288257224 ], [ 4.085292749999985, 2.358646683839573, 0.026579984795762398 ], [ 4.085294280000015, -2.3586440338395738, 2.717111721828803 ], [ 0, 0, 2.3375833383022977 ], [ 4.085294280000015, -2.3586440338395738, 0.8832331597802843 ], [ 0, 0, 3.9651161225004596 ], [ 5.632687091307183, 1.9948771402993417, 3.827999639019739 ], [ 2.996561954518575, 1.2004485750036455, 3.827999639019739 ], [ 3.626629204174242, 3.8806141946970114, 3.827999639019739 ], [ 3.9899636120798916, 0.7165193410199966, 1.1452946063689835 ], [ 2.7108333653226135, 3.2622677396934545, 1.1452946063689835 ], [ 5.555081272597495, 3.097152829286549, 1.1452946063689835 ], [ 6.715580186470891, 0.3181745385427055, 1.6012567713583679 ], [ 1.0030483598826303, 1.1009869454715706, 1.6012567713583679 ], [ 4.537249703646479, 5.656778425985724, 1.6012567713583679 ], [ 5.044825429382195, -0.9738871641940965, 3.5015749471978914 ], [ 4.80476329109744, -3.8820007493703845, 3.5015749471978914 ], [ 2.406294119520365, -2.2200440464355196, 3.5015749471978914 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.19567316, 0.00000198, 0 ], [ -0.00000198, 0.19567316, 0 ], [ 0, 0, 0.44366823 ] ]
-162.109318
-171.727318
[ [ -0.0003984, 0.00295823, -0.00047231 ], [ 0.0027611, -0.00113409, -0.00047231 ], [ -0.00236271, -0.00182414, -0.00047231 ], [ 0.00004475, -0.00451728, 0.00966224 ], [ -0.00393445, 0.00221989, 0.00966224 ], [ 0.0038897, 0.00229739, 0.00966224 ], [ 0, 0, 0.00196848 ], [ 0, 0, 0.00612028 ], [ 0, 0, -0.00866515 ], [ 0, 0, -0.00176959 ], [ 0, 0, 0.01292945 ], [ 0.00145627, -0.00170076, -0.00856522 ], [ -0.00220104, -0.00041079, -0.00856522 ], [ 0.00074477, 0.00211155, -0.00856522 ], [ -0.00215549, 0.00442478, -0.00327011 ], [ 0.00490972, -0.00034568, -0.00327011 ], [ -0.00275423, -0.0040791, -0.00327011 ], [ -0.00414511, 0.00111732, 0.0018688 ], [ 0.00304018, 0.00303111, 0.0018688 ], [ 0.00110493, -0.00414843, 0.0018688 ], [ 0.00025146, 0.00164213, -0.00275121 ], [ 0.0012964, -0.00103883, -0.00275121 ], [ -0.00154786, -0.0006033, -0.00275121 ] ]
pbe
true
143
agm005266753-pbe-111
111
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08540444, -7.07612278, 0 ], [ 4.08539987, 7.07612542, 0 ], [ 0, 0, 5.09775735 ] ]
agm005266753
[ [ 3.418156715563261, -4.705066866242848, 0.113731068433647 ], [ 2.387018517957765, -0.6076744766676305, 0.113731068433647 ], [ 6.451033516478974, -1.7633787970895227, 0.113731068433647 ], [ 2.1651060757157894, 2.3502888999904012, 2.64256016182095 ], [ 5.038256725941062, 4.025944107402843, 2.64256016182095 ], [ 5.052841378343148, 0.6998950526067551, 2.64256016182095 ], [ 4.085401393333318, 2.3587094005074944, 0.026519859151611 ], [ 4.085402916666681, -2.3587067605074945, 2.7172111087234683 ], [ 0, 0, 2.337532282353555 ], [ 4.085402916666681, -2.3587067605074945, 0.8832583902437086 ], [ 0, 0, 3.9652379458416482 ], [ 5.632793333639949, 1.9945411362952745, 3.8281295817523713 ], [ 2.9963264956459152, 1.200712732220325, 3.8281295817523713 ], [ 3.627084350714135, 3.880874191484401, 3.8281295817523713 ], [ 3.9899456034490437, 0.7166281151713818, 1.145488608632487 ], [ 2.7110452206006608, 3.262417111108572, 1.145488608632487 ], [ 5.555213355950295, 3.0970828337200467, 1.145488608632487 ], [ 6.7157551789009595, 0.3180169853673158, 1.6012640039342312 ], [ 1.0029331085627997, 1.1011022675696598, 1.6012640039342312 ], [ 4.537515892536286, 5.657008665540543, 1.6012640039342312 ], [ 5.0446405965330765, -0.9737678662915603, 3.5017744187700752 ], [ 4.805176301113147, -3.8819003354515775, 3.5017744187700752 ], [ 2.406391852353776, -2.220451938256863, 3.5017744187700752 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.12924765, 0.0000021, 0 ], [ -0.0000021, 0.12924765, 0 ], [ 0, 0, 0.32539071 ] ]
-162.109322
-171.727322
[ [ -0.00281057, 0.00265807, 0.0011168 ], [ 0.00370724, 0.00110499, 0.0011168 ], [ -0.00089667, -0.00376306, 0.0011168 ], [ -0.00053772, -0.00243764, 0.00623544 ], [ -0.00184219, 0.0016845, 0.00623544 ], [ 0.00237992, 0.00075314, 0.00623544 ], [ 0, 0, 0.00385487 ], [ 0, 0, 0.00436367 ], [ 0, 0, -0.00427569 ], [ 0, 0, -0.00028767 ], [ 0, 0, 0.00794536 ], [ 0.00286057, 0.00204845, -0.00520841 ], [ 0.00034373, -0.00350155, -0.00520841 ], [ -0.0032043, 0.0014531, -0.00520841 ], [ -0.00239451, 0.00305541, -0.00489766 ], [ 0.00384332, 0.00054601, -0.00489766 ], [ -0.00144881, -0.00360142, -0.00489766 ], [ -0.00483815, 0.00123999, 0.00195613 ], [ 0.00349294, 0.00356996, 0.00195613 ], [ 0.00134521, -0.00480995, 0.00195613 ], [ 0.00085622, 0.00045436, -0.00306915 ], [ -0.00003462, -0.00096868, -0.00306915 ], [ -0.0008216, 0.00051432, -0.00306915 ] ]
pbe
true
143
agm005266753-pbe-112
112
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08537153, -7.07606578, 0 ], [ 4.08536695, 7.07606842, 0 ], [ 0, 0, 5.09772019 ] ]
agm005266753
[ [ 3.4181149626424414, -4.7050537319493815, 0.11379742734540801 ], [ 2.3869849471605455, -0.6076448862176345, 0.11379742734540801 ], [ 6.451010100197013, -1.763364521832985, 0.11379742734540801 ], [ 2.165101621824248, 2.350314263998565, 2.6425504826455875 ], [ 5.038247997080552, 4.025878278374057, 2.6425504826455875 ], [ 5.0527558110952, 0.6998785176273783, 2.6425504826455875 ], [ 4.085368476666652, 2.3586904005071148, 0.0265380686055153 ], [ 4.085370003333349, -2.3586877605071144, 2.7171810042727835 ], [ 0, 0, 2.3375477664136595 ], [ 4.085370003333349, -2.3586877605071144, 0.8832507282965353 ], [ 0, 0, 3.9652010378984412 ], [ 5.632761146010224, 1.9946428862894527, 3.8280902068081066 ], [ 2.9963977884358832, 1.2006327241020363, 3.8280902068081066 ], [ 3.6269464955538924, 3.880795449608511, 3.8280902068081066 ], [ 3.989951042414692, 0.7165951704724214, 1.145429842163561 ], [ 2.71098105169652, 3.2623718676330187, 1.145429842163561 ], [ 5.555173335888788, 3.09710402189456, 1.145429842163561 ], [ 6.715702174653195, 0.3180647345136034, 1.6012618133119307 ], [ 1.0029680055090697, 1.1010673579971981, 1.6012618133119307 ], [ 4.537435249837735, 5.656938967489198, 1.6012618133119307 ], [ 5.044696613744808, -0.9738040354338908, 3.5017140242495555 ], [ 4.80505118429766, -3.8819308398269285, 3.5017140242495555 ], [ 2.4063622119575765, -2.2203284062605233, 3.5017140242495555 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.15123152, 0.00000206, 0 ], [ -0.00000206, 0.15123152, 0 ], [ 0, 0, 0.36324096 ] ]
-162.109322
-171.727322
[ [ -0.00194304, 0.00276007, 0.00040482 ], [ 0.00336181, 0.00030268, 0.00040482 ], [ -0.00141877, -0.00306276, 0.00040482 ], [ -0.00050571, -0.00293611, 0.00708312 ], [ -0.00228989, 0.00190601, 0.00708312 ], [ 0.0027956, 0.00103009, 0.00708312 ], [ 0, 0, 0.00346887 ], [ 0, 0, 0.00482966 ], [ 0, 0, -0.00566093 ], [ 0, 0, -0.00089786 ], [ 0, 0, 0.00955939 ], [ 0.00246039, 0.00035445, -0.00626222 ], [ -0.00092324, -0.00230798, -0.00626222 ], [ -0.00153715, 0.00195354, -0.00626222 ], [ -0.00252339, 0.00373043, -0.00406967 ], [ 0.00449234, 0.0003201, -0.00406967 ], [ -0.00196895, -0.00405053, -0.00406967 ], [ -0.00453445, 0.00102536, 0.00180695 ], [ 0.00315521, 0.00341427, 0.00180695 ], [ 0.00137924, -0.00443963, 0.00180695 ], [ 0.00012702, 0.0010402, -0.00272937 ], [ 0.00083733, -0.00063011, -0.00272937 ], [ -0.00096435, -0.00041009, -0.00272937 ] ]
pbe
true
143
agm005266753-pbe-113
113
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.0853709, -7.07606465, 0 ], [ 4.08536629, 7.0760673, 0 ], [ 0, 0, 5.09790825 ] ]
agm005266753
[ [ 3.418030887181777, -4.705073146540375, 0.11401777675619999 ], [ 2.387008879506668, -0.6075623505122303, 0.11401777675619999 ], [ 6.451068323311555, -1.7634265029473948, 0.11401777675619999 ], [ 2.1651312207413747, 2.350390809826837, 2.6428225213562397 ], [ 5.038298832185279, 4.025813252296118, 2.6428225213562397 ], [ 5.052673427073346, 0.6998658878770456, 2.6428225213562397 ], [ 4.085367826666651, 2.358690030507107, 0.026666954139419996 ], [ 4.085369363333349, -2.3586873805071074, 2.7173481793349175 ], [ 0, 0, 2.3376186561865273 ], [ 4.085369363333349, -2.3586873805071074, 0.8832612383572049 ], [ 0, 0, 3.9655181490388647 ], [ 5.632851396931201, 1.9950141403159387, 3.8280679389697045 ], [ 2.9966735246749554, 1.200367821346339, 3.8280679389697045 ], [ 3.6265785583938426, 3.880687988337722, 3.8280679389697045 ], [ 3.990015041493936, 0.71658741929651, 1.1452330063199474 ], [ 2.710941642370325, 3.262319272419377, 1.1452330063199474 ], [ 5.555146796135692, 3.0971633998054333, 1.1452330063199474 ], [ 6.715611766632117, 0.3182410984609012, 1.60138715827014 ], [ 1.0031652906936146, 1.1010563578528787, 1.60138715827014 ], [ 4.537326422674267, 5.656772493686221, 1.60138715827014 ], [ 5.044997115321345, -0.9739185773694539, 3.501679461171705 ], [ 4.8048004094114205, -3.882133724509342, 3.501679461171705 ], [ 2.4063105652672347, -2.220009698121205, 3.501679461171705 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.07902272, 0.00000209, 0 ], [ -0.00000209, 0.07902272, 0 ], [ 0, 0, 0.13730881 ] ]
-162.109334
-171.727334
[ [ 0.00010023, 0.00248885, -0.00102789 ], [ 0.00210529, -0.00133123, -0.00102789 ], [ -0.00220552, -0.00115762, -0.00102789 ], [ 0.00141557, -0.0018908, 0.00505868 ], [ -0.00234527, -0.00028052, 0.00505868 ], [ 0.0009297, 0.00217132, 0.00505868 ], [ 0, 0, 0.00103568 ], [ 0, 0, 0.00294856 ], [ 0, 0, 0.00005929 ], [ 0, 0, 0.00069203 ], [ 0, 0, 0.00239497 ], [ 0.00095451, -0.00100416, -0.00721039 ], [ -0.00134688, -0.00032455, -0.00721039 ], [ 0.00039237, 0.0013287, -0.00721039 ], [ 0.00030897, 0.0038233, 0.00044109 ], [ 0.00315659, -0.00217923, 0.00044109 ], [ -0.00346556, -0.00164407, 0.00044109 ], [ -0.00059223, 0.0002659, 0.00221853 ], [ 0.00052639, 0.00037993, 0.00221853 ], [ 0.00006584, -0.00064583, 0.00221853 ], [ -0.00013392, 0.00081816, -0.00185686 ], [ 0.00077551, -0.0002931, -0.00185686 ], [ -0.00064159, -0.00052506, -0.00185686 ] ]
pbe
true
143
agm005266753-pbe-114
114
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08537052, -7.07606398, 0 ], [ 4.08536591, 7.07606665, 0 ], [ 0, 0, 5.09801833 ] ]
agm005266753
[ [ 3.4179815856931963, -4.705084516366478, 0.1141467205962153 ], [ 2.3870229153987097, -0.6075139584699176, 0.1141467205962153 ], [ 6.4511024489080935, -1.7634628351636055, 0.1141467205962153 ], [ 2.1651485047132204, 2.3504355996817003, 2.64298170157964 ], [ 5.0383285952855354, 4.025775244474898, 2.64298170157964 ], [ 5.052625240001245, 0.6998584758434001, 2.64298170157964 ], [ 4.085367446666651, 2.358689820507102, 0.026742368872581204 ], [ 4.085368983333348, -2.358687150507102, 2.717446008277151 ], [ 0, 0, 2.3376602112517237 ], [ 4.085368983333348, -2.358687150507102, 0.88326736180081 ], [ 0, 0, 3.9657037492862464 ], [ 5.6329041869765675, 1.9952315570505443, 3.8280549092878147 ], [ 2.99683498571783, 1.200212821703767, 3.8280549092878147 ], [ 3.626363167305556, 3.8806250827669935, 3.8280549092878147 ], [ 3.9900525008743584, 0.7165828335561284, 1.1451177439477163 ], [ 2.7109185530139737, 3.2622884769226395, 1.1451177439477163 ], [ 5.555131286111623, 3.0971981510425386, 1.1451177439477163 ], [ 6.715558808379935, 0.31834432499211474, 1.601460533214937 ], [ 1.0032807724531532, 1.1010499599501427, 1.601460533214937 ], [ 4.537262759166912, 5.656675035057742, 1.601460533214937 ], [ 5.045173052283033, -0.9739855552224079, 3.5016592817675276 ], [ 4.804653665496747, -3.882252582401546, 3.5016592817675276 ], [ 2.406280232220219, -2.219823172376046, 3.5016592817675276 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.04142074, 0.00000205, 0 ], [ -0.00000205, 0.04142074, 0 ], [ 0, 0, 0.00890521 ] ]
-162.109337
-171.727337
[ [ 0.0007181, 0.00256751, -0.00185568 ], [ 0.00186448, -0.00190565, -0.00185568 ], [ -0.00258258, -0.00066186, -0.00185568 ], [ 0.00272934, -0.00108882, 0.0044273 ], [ -0.00230761, -0.00181927, 0.0044273 ], [ -0.00042173, 0.00290808, 0.0044273 ], [ 0, 0, -0.00034705 ], [ 0, 0, 0.00212965 ], [ 0, 0, 0.00353188 ], [ 0, 0, 0.00178737 ], [ 0, 0, -0.00117819 ], [ 0.00016235, -0.00084225, -0.0080923 ], [ -0.00081058, 0.00028053, -0.0080923 ], [ 0.00064823, 0.00056172, -0.0080923 ], [ 0.00220417, 0.00351262, 0.00247925 ], [ 0.00193993, -0.00366518, 0.00247925 ], [ -0.00414411, 0.00015256, 0.00247925 ], [ 0.00105519, 0.00011015, 0.00270122 ], [ -0.00043221, -0.0009689, 0.00270122 ], [ -0.00062299, 0.00085875, 0.00270122 ], [ 0.00039099, 0.00051551, -0.00163434 ], [ 0.00025095, -0.00059636, -0.00163434 ], [ -0.00064194, 0.00008085, -0.00163434 ] ]
pbe
true
143
agm005266753-pbe-115
115
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08536977, -7.07606266, 0 ], [ 4.08536513, 7.07606534, 0 ], [ 0, 0, 5.09823847 ] ]
agm005266753
[ [ 3.417883111095291, -4.705107201126005, 0.1144046751963388 ], [ 2.387050944687339, -0.6074172543663809, 0.1144046751963388 ], [ 6.4511706142173235, -1.7635353829863343, 0.1144046751963388 ], [ 2.1651830650145323, 2.350525173077621, 2.643300166851158 ], [ 5.038388106769027, 4.025699213199407, 2.643300166851158 ], [ 5.05252885821644, 0.6998436337229732, 2.643300166851158 ], [ 4.08536667666665, 2.35868938717376, 0.026893207929250002 ], [ 4.085368223333348, -2.3586867071737596, 2.717641711555389 ], [ 0, 0, 2.3377432090907178 ], [ 4.085368223333348, -2.3586867071737596, 0.8832796545277471 ], [ 0, 0, 3.966074998156796 ], [ 5.633009796766705, 1.9956661588446258, 3.8280287715273733 ], [ 2.9971577789405726, 1.1999027415903765, 3.8280287715273733 ], [ 3.625932454292675, 3.8804992610862783, 3.8280287715273733 ], [ 3.9901274132116455, 0.7165736479344775, 1.144887298539937 ], [ 2.710872404934589, 3.2622268075370324, 1.144887298539937 ], [ 5.555100211853765, 3.0972675645284915, 1.144887298539937 ], [ 6.7154529238643, 0.31855068280373366, 1.601607230865416 ], [ 1.003511691491896, 1.1010370904827047, 1.601607230865416 ], [ 4.537135414643849, 5.6564801051922835, 1.601607230865416 ], [ 5.045524840290506, -0.9741196716231637, 3.5016188458297854 ], [ 4.804360098391885, -3.8824901769834006, 3.5016188458297854 ], [ 2.406219731317609, -2.219450131393435, 3.5016188458297854 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.05424141, 0.00000203, 0 ], [ -0.00000203, -0.05424141, 0 ], [ 0, 0, -0.2607195 ] ]
-162.109333
-171.727333
[ [ 0.00287644, 0.00233987, -0.00333166 ], [ 0.00058817, -0.00366101, -0.00333166 ], [ -0.00346461, 0.00132114, -0.00333166 ], [ 0.00492802, 0.0001017, 0.00185868 ], [ -0.00237593, -0.00431864, 0.00185868 ], [ -0.00255209, 0.00421694, 0.00185868 ], [ 0, 0, -0.00322251 ], [ 0, 0, -0.00025495 ], [ 0, 0, 0.01025155 ], [ 0, 0, 0.00371199 ], [ 0, 0, -0.00980371 ], [ -0.00175094, -0.00254615, -0.00915534 ], [ -0.00132956, 0.00278943, -0.00915534 ], [ 0.0030805, -0.00024328, -0.00915534 ], [ 0.00552933, 0.00352092, 0.0078322 ], [ 0.00028455, -0.006549, 0.0078322 ], [ -0.00581387, 0.00302808, 0.0078322 ], [ 0.00569063, -0.00077895, 0.00325696 ], [ -0.00351991, -0.00453876, 0.00325696 ], [ -0.00217072, 0.00531771, 0.00325696 ], [ -7.4e-7, 0.00036125, -0.0006883 ], [ 0.00031322, -0.00017998, -0.0006883 ], [ -0.00031248, -0.00018126, -0.0006883 ] ]
pbe
true
143
agm005266753-pbe-116
116
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08537033, -7.07606364, 0 ], [ 4.08536571, 7.07606631, 0 ], [ 0, 0, 5.09807528 ] ]
agm005266753
[ [ 3.4179561374471255, -4.705090446475188, 0.11421345501666 ], [ 2.3870301555465536, -0.6074890215281437, 0.11421345501666 ], [ 6.451120077006367, -1.7634816435179674, 0.11421345501666 ], [ 2.1651574283626864, 2.3504587670016623, 2.643064093388186 ], [ 5.038343998920648, 4.025755591865719, 2.643064093388186 ], [ 5.052600322716665, 0.6998546211326193, 2.643064093388186 ], [ 4.085367249999985, 2.3586897071737662, 0.0267814129839072 ], [ 4.0853687900000155, -2.3586870371737665, 2.717496655225972 ], [ 0, 0, 2.3376816860225125 ], [ 4.0853687900000155, -2.3586870371737665, 0.8832705503083431 ], [ 0, 0, 3.965799795655886 ], [ 5.6329314928981935, 1.9953438998626134, 3.828048119225444 ], [ 2.9969184693363973, 1.2001325922455865, 3.828048119225444 ], [ 3.6262517877654084, 3.8805924878918, 3.828048119225444 ], [ 3.990071878831128, 0.716580464029839, 1.1450581433974214 ], [ 2.7109066146046303, 3.2622725405432456, 1.1450581433974214 ], [ 5.555123256564195, 3.097216116948215, 1.1450581433974214 ], [ 6.71553144245882, 0.3183976632170724, 1.6014984585781007 ], [ 1.0033404518687297, 1.1010466520751052, 1.6014984585781007 ], [ 4.537229855672449, 5.656624664707823, 1.6014984585781007 ], [ 5.0452640384377565, -0.974020251872219, 3.501648794556466 ], [ 4.804577737058305, -3.882314028412613, 3.501648794556466 ], [ 2.406264594503938, -2.219726689715168, 3.501648794556466 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.04738924, 0.00000203, 0 ], [ -0.00000203, 0.04738924, 0 ], [ 0, 0, -0.02373031 ] ]
-162.109337
-171.727337
[ [ 0.00085019, 0.00250433, -0.00173462 ], [ 0.00174371, -0.00198845, -0.00173462 ], [ -0.00259391, -0.00051588, -0.00173462 ], [ 0.00323598, -0.00089052, 0.00330664 ], [ -0.00238921, -0.00235718, 0.00330664 ], [ -0.00084677, 0.0032477, 0.00330664 ], [ 0, 0, -0.00121048 ], [ 0, 0, 0.00121148 ], [ 0, 0, 0.00516177 ], [ 0, 0, 0.00246922 ], [ 0, 0, -0.00384435 ], [ -0.00046972, -0.00195866, -0.00825596 ], [ -0.00146139, 0.00138612, -0.00825596 ], [ 0.00193111, 0.00057254, -0.00825596 ], [ 0.0029907, 0.00355123, 0.00410559 ], [ 0.0015801, -0.00436564, 0.00410559 ], [ -0.0045708, 0.00081441, 0.00410559 ], [ 0.00234533, -0.00020701, 0.00281601 ], [ -0.00135195, -0.00192761, 0.00281601 ], [ -0.00099339, 0.00213462, 0.00281601 ], [ -0.00010567, 0.00053104, -0.0015002 ], [ 0.00051273, -0.00017401, -0.0015002 ], [ -0.00040706, -0.00035704, -0.0015002 ] ]
pbe
true
143
agm005266753-pbe-117
117
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08540733, -7.07612771, 0 ], [ 4.0854027, 7.07613039, 0 ], [ 0, 0, 5.09814069 ] ]
agm005266753
[ [ 3.4179681357218605, -4.70508224111473, 0.1142751294547914 ], [ 2.387105249650899, -0.60750350619895, 0.1142751294547914 ], [ 6.4511439746272865, -1.7635394242089006, 0.1142751294547914 ], [ 2.1652690774354717, 2.3504948425983074, 2.64325997270855 ], [ 5.038356406435937, 4.025704944775242, 2.64325997270855 ], [ 5.052587246128592, 0.6999332826264508, 2.64325997270855 ], [ 4.085404243333318, 2.358711070507528, 0.026812906237951503 ], [ 4.085405786666682, -2.3587083905075272, 2.7175922914481436 ], [ 0, 0, 2.337828783547036 ], [ 4.085405786666682, -2.3587083905075272, 0.883330927076464 ], [ 0, 0, 3.9658386465731237 ], [ 5.6330141622831595, 1.9954901236337799, 3.827821221017968 ], [ 2.9970407561630994, 1.2000519689966966, 3.827821221017968 ], [ 3.6261578115537416, 3.8805909773695246, 3.827821221017968 ], [ 3.990210594867011, 0.716668828508987, 1.1450589169498357 ], [ 2.710950811731332, 3.262172237337109, 1.1450589169498357 ], [ 5.555051323401658, 3.097292004153905, 1.1450589169498357 ], [ 6.715606553539343, 0.31847881655444876, 1.601618114190537 ], [ 1.0034101642584095, 1.1010051092695883, 1.601618114190537 ], [ 4.537196012202247, 5.656649144175963, 1.601618114190537 ], [ 5.045449365606683, -0.9740703901831185, 3.5015803392251983 ], [ 4.804515639898039, -3.8824494463591614, 3.5015803392251983 ], [ 2.406252354495278, -2.2196051934577197, 3.5015803392251983 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -0.03762338, 0.0000021, 0 ], [ -0.0000021, -0.03762338, 0 ], [ 0, 0, -0.08786009 ] ]
-162.109347
-171.727347
[ [ 0.00087214, 0.00141744, -0.00143969 ], [ 0.00079147, -0.00146402, -0.00143969 ], [ -0.00166361, 0.00004658, -0.00143969 ], [ 0.00200563, 0.00071683, 0.0001816 ], [ -0.00038202, -0.00209535, 0.0001816 ], [ -0.00162361, 0.00137851, 0.0001816 ], [ 0, 0, -0.00134893 ], [ 0, 0, 0.0007962 ], [ 0, 0, 0.00063341 ], [ 0, 0, 0.00184821 ], [ 0, 0, 0.0002531 ], [ 0.00008942, 0.00116531, -0.00463454 ], [ 0.00096448, -0.0006601, -0.00463454 ], [ -0.0010539, -0.00050521, -0.00463454 ], [ 0.00286246, 0.00242424, 0.00309477 ], [ 0.00066822, -0.00369108, 0.00309477 ], [ -0.00353068, 0.00126684, 0.00309477 ], [ 0.00240762, -0.0002945, 0.00241221 ], [ -0.00145885, -0.00193781, 0.00241221 ], [ -0.00094876, 0.00223231, 0.00241221 ], [ 0.00006655, 0.00020779, -0.00034168 ], [ 0.00014668, -0.00016153, -0.00034168 ], [ -0.00021323, -0.00004626, -0.00034168 ] ]
pbe
true
143
agm005266753-pbe-118
118
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08540733, -7.07612771, 0 ], [ 4.0854027, 7.07613039, 0 ], [ 0, 0, 5.09814069 ] ]
agm005266753
[ [ 3.4179681357218605, -4.70508224111473, 0.1142751294547914 ], [ 2.387105249650899, -0.60750350619895, 0.1142751294547914 ], [ 6.4511439746272865, -1.7635394242089006, 0.1142751294547914 ], [ 2.1652690774354717, 2.3504948425983074, 2.64325997270855 ], [ 5.038356406435937, 4.025704944775242, 2.64325997270855 ], [ 5.052587246128592, 0.6999332826264508, 2.64325997270855 ], [ 4.085404243333318, 2.358711070507528, 0.026812906237951503 ], [ 4.085405786666682, -2.3587083905075272, 2.7175922914481436 ], [ 0, 0, 2.337828783547036 ], [ 4.085405786666682, -2.3587083905075272, 0.883330927076464 ], [ 0, 0, 3.9658386465731237 ], [ 5.6330141622831595, 1.9954901236337799, 3.827821221017968 ], [ 2.9970407561630994, 1.2000519689966966, 3.827821221017968 ], [ 3.6261578115537416, 3.8805909773695246, 3.827821221017968 ], [ 3.990210594867011, 0.716668828508987, 1.1450589169498357 ], [ 2.710950811731332, 3.262172237337109, 1.1450589169498357 ], [ 5.555051323401658, 3.097292004153905, 1.1450589169498357 ], [ 6.715606553539343, 0.31847881655444876, 1.601618114190537 ], [ 1.0034101642584095, 1.1010051092695883, 1.601618114190537 ], [ 4.537196012202247, 5.656649144175963, 1.601618114190537 ], [ 5.045449365606683, -0.9740703901831185, 3.5015803392251983 ], [ 4.804515639898039, -3.8824494463591614, 3.5015803392251983 ], [ 2.406252354495278, -2.2196051934577197, 3.5015803392251983 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ -8.08297798, 0.00000183, 0 ], [ -0.00000183, -8.08297798, 0 ], [ 0, 0, -7.51494282 ] ]
-162.110389
-171.728389
[ [ -0.03048763, 0.04216921, -0.01025985 ], [ 0.05176342, 0.00531846, -0.01025985 ], [ -0.02127579, -0.04748767, -0.01025985 ], [ 0.10941549, 0.03423192, 0.00049963 ], [ -0.02506204, -0.11187255, 0.00049963 ], [ -0.08435346, 0.07764064, 0.00049963 ], [ 0, 0, -0.05777848 ], [ 0, 0, -0.01394817 ], [ 0, 0, -0.00588421 ], [ 0, 0, 0.04321837 ], [ 0, 0, 0.02947637 ], [ -0.02891035, -0.00077596, 0.01090493 ], [ 0.01378317, 0.02542508, 0.01090493 ], [ 0.01512718, -0.02464912, 0.01090493 ], [ 0.00739366, 0.01546327, 0.00921635 ], [ 0.00969476, -0.01413473, 0.00921635 ], [ -0.01708842, -0.00132854, 0.00921635 ], [ -0.05037637, 0.01037147, 0.00769658 ], [ 0.03417014, 0.03844148, 0.00769658 ], [ 0.01620623, -0.04881295, 0.00769658 ], [ -0.02359665, -0.00614868, -0.01641893 ], [ 0.00647341, 0.02350964, -0.01641893 ], [ 0.01712324, -0.01736096, -0.01641893 ] ]
pbe
true
143
agm005266753-pbe-119
119
1
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.09449494, -7.09187318, 0 ], [ 4.09449487, 7.09187322, 0 ], [ 0, 0, 5.11403279 ] ]
agm005266753
[ [ 3.4113248499249607, -4.656266065947466, 5.102529438063158 ], [ 2.450882681435248, -0.6261609045889684, 5.102529438063158 ], [ 6.421277218639791, -1.8094461694635662, 5.102529438063158 ], [ 2.151234672878349, 2.351412125592161, 2.602049698363166 ], [ 5.055260171134955, 4.053143282670505, 2.602049698363166 ], [ 5.076989835986696, 0.6873178517373342, 2.602049698363166 ], [ 4.094494893333333, 2.363957800612488, 0.0260671967968601 ], [ 4.094494916666667, -2.3639577606124886, 2.705181175798438 ], [ 0, 0, 2.3111889300109323 ], [ 4.094494916666667, -2.3639577606124886, 0.8852983987293641 ], [ 0, 0, 3.938058648624745 ], [ 5.622442104379729, 1.8658648454289541, 3.8972907043100786 ], [ 2.899160175773946, 1.289763108166867, 3.8972907043100786 ], [ 3.761882399846325, 3.936245306404179, 3.8972907043100786 ], [ 3.881631610400973, 0.7530063214134786, 1.2101946406492128 ], [ 2.805801669148556, 3.3537784797397117, 1.2101946406492128 ], [ 5.596051400450471, 2.9850884588468096, 1.2101946406492128 ], [ 6.682568056763617, 0.08670470703506528, 1.6155613136069251 ], [ 0.8282992799581544, 1.2612472432641808, 1.6155613136069251 ], [ 4.7726173432782275, 5.743921451538219, 1.6155613136069251 ], [ 4.818603057789856, -0.8989517813860806, 3.592215379537384 ], [ 5.0011732011131, -3.7235567240704204, 3.592215379537384 ], [ 2.4637084910970426, -2.469364634543499, 3.592215379537384 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.05449792, 0.00000122, 0 ], [ -0.00000122, 0.05449792, 0 ], [ 0, 0, 2.24253182 ] ]
-162.074181
-171.692181
[ [ 0.00609258, -0.00959428, 0.01791263 ], [ -0.01135518, -0.00047919, 0.01791263 ], [ 0.0052626, 0.01007347, 0.01791263 ], [ -0.01613931, -0.00545436, -0.0314233 ], [ 0.00334604, 0.01670424, -0.0314233 ], [ 0.01279327, -0.01124987, -0.0314233 ], [ 0, 0, -0.03071911 ], [ 0, 0, -0.08400861 ], [ 0, 0, -0.02888267 ], [ 0, 0, 0.0592507 ], [ 0, 0, 0.12172337 ], [ 0.00492141, 0.0074422, -0.02927515 ], [ 0.00398443, -0.00798317, -0.02927515 ], [ -0.00890584, 0.00054097, -0.02927515 ], [ 0.02313871, -0.00989818, -0.00403557 ], [ -0.02014143, -0.01508962, -0.00403557 ], [ -0.00299728, 0.0249878, -0.00403557 ], [ -0.06250862, 0.01278568, -0.00117705 ], [ 0.04232703, 0.04774121, -0.00117705 ], [ 0.02018159, -0.06052689, -0.00117705 ], [ 0.01886258, 0.00419329, 0.03554388 ], [ -0.00579979, -0.01843212, 0.03554388 ], [ -0.01306279, 0.01423883, 0.03554388 ] ]
pbe
true
143
agm005266753-pbe-12
12
0
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.07266432, -7.05405618, 0 ], [ 4.07265969, 7.05405885, 0 ], [ 0, 0, 5.08335632 ] ]
agm005266753
[ [ 3.4058407289200323, -4.68837832547181, 0.1134501938490704 ], [ 2.3821489144269536, -0.605352758310479, 0.1134501938490704 ], [ 6.429998686653015, -1.7603224262177113, 0.1134501938490704 ], [ 2.1637773076285143, 2.344809564849829, 2.6356186864607265 ], [ 5.021435687020962, 4.007767950180117, 2.6356186864607265 ], [ 5.032770705350524, 0.7014840049700535, 2.6356186864607265 ], [ 4.072661233333318, 2.3513538870270505, 0.0239558758271952 ], [ 4.072662776666682, -2.3513512170270507, 2.7090404484700255 ], [ 0, 0, 2.330766147933776 ], [ 4.072662776666682, -2.3513512170270507, 0.8828482488594496 ], [ 0, 0, 3.955755800217144 ], [ 5.614053551927906, 1.989228565428684, 3.8172452697132324 ], [ 2.9883553874307704, 1.1975315722512696, 3.8172452697132324 ], [ 3.615574760641324, 3.8673013823200453, 3.8172452697132324 ], [ 3.9781200534017302, 0.7151770662490828, 1.142181619051144 ], [ 2.7029611721744784, 3.251317290948089, 1.142181619051144 ], [ 5.536902474423792, 3.0875671628028276, 1.142181619051144 ], [ 6.692236833276352, 0.3179842223995397, 1.5973437172699216 ], [ 1.001923690179686, 1.0994196327012213, 1.5973437172699216 ], [ 4.523823176543963, 5.636657664899239, 1.5973437172699216 ], [ 5.028577023367919, -0.9713278222748483, 3.4906361694709345 ], [ 4.789840930531732, -3.869208865838243, 3.4906361694709345 ], [ 2.3995703761003497, -2.2135168218869086, 3.4906361694709345 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 14.10661024, 0.00000205, 0 ], [ -0.00000205, 14.10661024, 0 ], [ 0, 0, 16.4974012 ] ]
-162.093153
-171.711153
[ [ 0.07996233, -0.03638853, 0.02045232 ], [ -0.07149455, -0.05105514, 0.02045232 ], [ -0.00846777, 0.08744367, 0.02045232 ], [ -0.08708401, -0.00145235, 0.02279476 ], [ 0.04228423, 0.07614314, 0.02279476 ], [ 0.04479978, -0.07469079, 0.02279476 ], [ 0, 0, 0.04019792 ], [ 0, 0, 0.01814168 ], [ 0, 0, 0.01350647 ], [ 0, 0, -0.12508095 ], [ 0, 0, 0.08425996 ], [ 0.03917976, 0.05459721, -0.00593472 ], [ 0.02769269, -0.06122927, -0.00593472 ], [ -0.06687245, 0.00663207, -0.00593472 ], [ -0.03803871, -0.00381276, -0.04657355 ], [ 0.01571741, 0.03484887, -0.04657355 ], [ 0.0223213, -0.03103611, -0.04657355 ], [ -0.02238371, 0.01505856, -0.03826396 ], [ 0.02423295, 0.01185558, -0.03826396 ], [ -0.00184924, -0.02691414, -0.03826396 ], [ 0.02307117, 0.05936869, 0.03718347 ], [ 0.03987921, -0.04966457, 0.03718347 ], [ -0.06295038, -0.00970412, 0.03718347 ] ]
pbe
true
143
agm005266753-pbe-120
120
1
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08059704, -7.06779605, 0 ], [ 4.08059241, 7.06779873, 0 ], [ 0, 0, 5.09255982 ] ]
agm005266753
[ [ 3.4133920129729787, -4.698779145338781, 0.11396425733665559 ], [ 2.3852312942761635, -0.6066918768896614, 0.11396425733665559 ], [ 6.443163182750811, -1.7623222064156092, 0.11396425733665559 ], [ 2.1646995627900107, 2.3483467889413876, 2.6403754942733273 ], [ 5.031970602800162, 4.018940523984682, 2.6403754942733273 ], [ 5.045111694409828, 0.7005140970739303, 2.6403754942733273 ], [ 4.080593953333318, 2.355933850451983, 0.025737542702289 ], [ 4.080595496666682, -2.3559311704519827, 2.7143648375677234 ], [ 0, 0, 2.335163055655669 ], [ 4.080595496666682, -2.3559311704519827, 0.8831463767965889 ], [ 0, 0, 3.962030942612914 ], [ 5.625858533452954, 1.9931265776911942, 3.8238283921849776 ], [ 2.9937613473121347, 1.1990991043883792, 3.8238283921849776 ], [ 3.622161979234866, 3.875575869276374, 3.8238283921849776 ], [ 3.985646192236094, 0.7161048154594591, 1.1439723186511181 ], [ 2.707934272831863, 3.258075469231776, 1.1439723186511181 ], [ 5.548201394932043, 3.0936211253087644, 1.1439723186511181 ], [ 6.706787813651193, 0.31829148175449085, 1.6000041755763612 ], [ 1.0028470072470108, 1.1004043639527434, 1.6000041755763612 ], [ 4.532147039101797, 5.649105564292764, 1.6000041755763612 ], [ 5.039081694846953, -0.9730347339653957, 3.497450001815445 ], [ 4.798975800668612, -3.8774527139515276, 3.497450001815445 ], [ 2.4037289944844344, -2.217305922083077, 3.497450001815445 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 5.22241558, 0.00000202, 0 ], [ -0.00000202, 5.22241558, 0 ], [ 0, 0, 6.00829949 ] ]
-162.104827
-171.722827
[ [ 0.02971341, -0.01253152, 0.00668948 ], [ -0.02570932, -0.01946681, 0.00668948 ], [ -0.00400409, 0.03199833, 0.00668948 ], [ -0.0306031, 0.00013113, 0.00813498 ], [ 0.01541511, 0.0264375, 0.00813498 ], [ 0.01518799, -0.02656863, 0.00813498 ], [ 0, 0, 0.01392629 ], [ 0, 0, 0.00671626 ], [ 0, 0, 0.00546461 ], [ 0, 0, -0.04555769 ], [ 0, 0, 0.03159103 ], [ 0.01473833, 0.02099767, -0.00500223 ], [ 0.01081535, -0.0232626, -0.00500223 ], [ -0.02555368, 0.00226494, -0.00500223 ], [ -0.01238822, -0.00004207, -0.01509949 ], [ 0.00615768, 0.01074955, -0.01509949 ], [ 0.00623054, -0.01070748, -0.01509949 ], [ -0.0068449, 0.00553165, -0.01273175 ], [ 0.008213, 0.00316203, -0.01273175 ], [ -0.0013681, -0.00869369, -0.01273175 ], [ 0.00859628, 0.02230175, 0.01396218 ], [ 0.01501574, -0.01859548, 0.01396218 ], [ -0.02361203, -0.00370628, 0.01396218 ] ]
pbe
true
143
agm005266753-pbe-121
121
1
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08241684, -7.07094803, 0 ], [ 4.08241221, 7.07095071, 0 ], [ 0, 0, 5.09467114 ] ]
agm005266753
[ [ 3.415124385596674, -4.701165316716825, 0.1140822197156044 ], [ 2.3859382602499863, -0.6069991380452149, 0.1140822197156044 ], [ 6.446183244153339, -1.7627808952379604, 0.1140822197156044 ], [ 2.164910797728363, 2.3491581078620936, 2.6414667009043846 ], [ 5.034387409870924, 4.021503911308201, 2.6414667009043846 ], [ 5.047943052400713, 0.7002913708297056, 2.6414667009043846 ], [ 4.082413753333318, 2.356984510472996, 0.0261464636510168 ], [ 4.082415296666682, -2.356981830472996, 2.7155863201978288 ], [ 0, 0, 2.3361717424827027 ], [ 4.082415296666682, -2.356981830472996, 0.8832146342725472 ], [ 0, 0, 3.96347038213198 ], [ 5.628566729050765, 1.9940207419447704, 3.8253385635131605 ], [ 2.9950014607576882, 1.1994585695747841, 3.8253385635131605 ], [ 3.6236730701915465, 3.877474078480445, 3.8253385635131605 ], [ 3.987372659352214, 0.7163176122962129, 1.1443830666026356 ], [ 2.709075127271951, 3.2596258893912413, 1.1443830666026356 ], [ 5.550793473375835, 3.095009888312545, 1.1443830666026356 ], [ 6.710126011715551, 0.31836193998661333, 1.600614484406145 ], [ 1.0030587270697868, 1.1006301554899722, 1.600614484406145 ], [ 4.534056521214662, 5.651961294523414, 1.600614484406145 ], [ 5.041491548333024, -0.973426317685461, 3.499013159252538 ], [ 4.801071351753727, -3.8793439126882285, 3.499013159252538 ], [ 2.4046829899132485, -2.21817511962631, 3.499013159252538 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 3.19409638, 0.00000205, 0 ], [ -0.00000205, 3.19409638, 0 ], [ 0, 0, 3.62086755 ] ]
-162.105984
-171.723984
[ [ 0.0187779, -0.00701391, 0.00374395 ], [ -0.01546317, -0.01275518, 0.00374395 ], [ -0.00331472, 0.01976909, 0.00374395 ], [ -0.01844576, 0.00021248, 0.00503433 ], [ 0.0094069, 0.01586826, 0.00503433 ], [ 0.00903887, -0.01608074, 0.00503433 ], [ 0, 0, 0.00840667 ], [ 0, 0, 0.00442611 ], [ 0, 0, 0.00333135 ], [ 0, 0, -0.02720092 ], [ 0, 0, 0.01993617 ], [ 0.00885864, 0.01346277, -0.00478504 ], [ 0.00722978, -0.01440319, -0.00478504 ], [ -0.01608842, 0.00094043, -0.00478504 ], [ -0.00662999, 0.00105613, -0.0081751 ], [ 0.00422963, 0.00521368, -0.0081751 ], [ 0.00240036, -0.0062698, -0.0081751 ], [ -0.00362932, 0.00334402, -0.0070498 ], [ 0.00471067, 0.00147107, -0.0070498 ], [ -0.00108135, -0.00481509, -0.0070498 ], [ 0.00525978, 0.01378908, 0.00826521 ], [ 0.0093118, -0.01144965, 0.00826521 ], [ -0.01457159, -0.00233943, 0.00826521 ] ]
pbe
true
143
agm005266753-pbe-122
122
1
[ "Ga", "Nd", "O", "Si" ]
23
A14B5C3D
Ga5Nd3O14Si
Nd3 Ga5 Si O14
4
[ 1, 1, 1 ]
3
[ [ 4.08448179, -7.07452464, 0 ], [ 4.08447716, 7.07452731, 0 ], [ 0, 0, 5.09706689 ] ]
agm005266753
[ [ 3.4170902609043576, -4.703873064197451, 0.1142161452551669 ], [ 2.3867402519624434, -0.6073477700716621, 0.1142161452551669 ], [ 6.449610227133199, -1.7633011357308872, 0.1142161452551669 ], [ 2.1651500642750228, 2.350078648150908, 2.6427049669448905 ], [ 5.037129897400786, 4.024413096737428, 2.6427049669448905 ], [ 5.051156148324145, 0.7000383766021843, 2.6427049669448905 ], [ 4.084478703333318, 2.3581767071635067, 0.0266106648779742 ], [ 4.084480246666682, -2.358174037163507, 2.716972442684331 ], [ 0, 0, 2.3373163449986345 ], [ 4.084480246666682, -2.358174037163507, 0.8832919251663623 ], [ 0, 0, 3.9651036488818425 ], [ 5.631639864464265, 1.995035427478376, 3.827052089728969 ], [ 2.996408590837472, 1.1998664067471962, 3.827052089728969 ], [ 3.625387654698263, 3.8796281457744284, 3.827052089728969 ], [ 3.9893316995983708, 0.7165589578216527, 1.144849084952097 ], [ 2.7103695721478394, 3.261385233983945, 1.144849084952097 ], [ 5.5537348382537886, 3.096585788194402, 1.144849084952097 ], [ 6.713914129666354, 0.31844181878854716, 1.6013069710056114 ], [ 1.0032988428676777, 1.100886133134212, 1.6013069710056114 ], [ 4.536223137466013, 5.655201886586722, 1.6013069710056114 ], [ 5.044226192149692, -0.973870663992781, 3.5007869521853197 ], [ 4.803449161644432, -3.881490094390608, 3.5007869521853197 ], [ 2.4057653862059225, -2.21916135310713, 3.5007869521853197 ] ]
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga", "Ga", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2024-05-07 00:00:00
[ 0.21739130434782608, 0.13043478260869565, 0.6086956521739131, 0.043478260869565216 ]
[ [ 0.92330046, 0.00000193, 0 ], [ -0.00000193, 0.92330046, 0 ], [ 0, 0, 0.94991986 ] ]
-162.106617
-171.724617
[ [ 0.00609103, -0.00093682, 0.00025466 ], [ -0.00385682, -0.00480658, 0.00025466 ], [ -0.00223421, 0.0057434, 0.00025466 ], [ -0.00413677, 0.00053845, 0.00145287 ], [ 0.0025347, 0.00331332, 0.00145287 ], [ 0.00160207, -0.00385177, 0.00145287 ], [ 0, 0, 0.00184422 ], [ 0, 0, 0.00159595 ], [ 0, 0, 0.00110673 ], [ 0, 0, -0.00692747 ], [ 0, 0, 0.00640629 ], [ 0.00270338, 0.00480332, -0.00452247 ], [ 0.0028081, -0.00474286, -0.00452247 ], [ -0.00551148, -0.00006046, -0.00452247 ], [ -0.00010491, 0.0020277, -0.00029489 ], [ 0.0018085, -0.000923, -0.00029489 ], [ -0.00170359, -0.00110471, -0.00029489 ], [ 0.00040513, 0.00083813, -0.00050344 ], [ 0.00052328, -0.00076992, -0.00050344 ], [ -0.0009284, -0.00006821, -0.00050344 ], [ 0.00161386, 0.00434075, 0.00227136 ], [ 0.00295227, -0.00356802, 0.00227136 ], [ -0.00456613, -0.00077273, 0.00227136 ] ]
pbe
true
143
agm005266753-pbe-123
123
1