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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.513255 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.1815 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.690063 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.734548 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -1.372032 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.137449 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.666832 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.003385 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.50013 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.523071 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.161562 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.944587 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.31481 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.358979 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.363768 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.729922 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.52514 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 1.049122 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.740862 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.283663 | [
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14.512390136... | [] | [] | [] | [] | [] | 83,873 | 0.283663 | -55.869214 | -3.477 | -59.062552 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.709935 | [
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17.43686485290... | [] | [] | [] | [] | [] | 83,965 | -0.709935 | -611.218167 | -3.477 | -615.405102 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.530709 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.177547 | [
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18.4082298... | [] | [] | [] | [] | [] | 83,999 | -0.177547 | -78.297255 | -3.477 | -81.951802 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.624294 | [
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18.78499221801... | [] | [] | [] | [] | [] | 84,004 | -0.624294 | -393.828228 | -3.477 | -397.929522 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.205793 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.254057 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.955536 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.91908 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.783547 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.94057 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.077301 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.96144 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.108713 | [
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11.64532947540283... | [] | [] | [] | [] | [] | 84,415 | -0.108713 | -109.322797 | -3.477 | -112.90851 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.207388 | [
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17.6380901336... | [] | [] | [] | [] | [] | 84,517 | -0.207388 | -286.006273 | -3.477 | -289.690661 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -1.077797 | [
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17.762340545... | [] | [] | [] | [] | [] | 84,534 | -1.077797 | -320.230261 | -3.477 | -324.785058 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.539927 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.467891 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 1.030245 | [
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19.17910957336... | [] | [] | [] | [] | [] | 84,681 | 1.030245 | -521.529846 | -3.477 | -523.976601 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.321323 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.191632 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.143164 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.594178 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.0505 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.421304 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.192837 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.00451 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.41505 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.307586 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.298515 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.31211 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.937286 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.545294 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -9.275353 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.069765 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.658366 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.305922 | [
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16.439380645... | [] | [] | [] | [] | [] | 85,577 | 0.305922 | -350.205345 | -3.477 | -353.376423 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.177726 | [
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0.0000541... | [] | [] | [] | [] | [] | 85,676 | -0.177726 | -300.782908 | -3.477 | -304.437634 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.654336 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.484401 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.573869 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.774676 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.183214 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.198885 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.470204 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.510181 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.96218 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.829431 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.729242 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.052731 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.298732 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 1.121633 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.076167 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.617413 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -1.44968 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.797324 | [
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15.53722763061... | [] | [] | [] | [] | [] | 86,444 | -0.797324 | -259.740619 | -3.477 | -264.014943 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.283921 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.128468 | [
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24.0930995941... | [] | [] | [] | [] | [] | 86,537 | -0.128468 | -106.421292 | -3.477 | -110.026759 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.708992 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.557631 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.405959 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.005611 | [
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12.295564651... | [] | [] | [] | [] | [] | 86,709 | 0.005611 | -159.237512 | -3.477 | -162.708902 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.698971 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.87087 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.871989 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.221723 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.274754 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.344782 | [
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oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.303119 | [
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1,
1,
1,
1,
1,
1,
1... |
oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.293024 | [
1,
1,
0
] | {"shift": 0.25, "top": true, "sites_coords": [[1.8, 0.91, 19.54]]} | [] | [] | [
{
"cartesian_site_positions": [
[
0,
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],
[
0,
0,
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],
[
0,
2.54207172,
16.52346627
],
[
-0.00000291,
2e-7,
19.08179148
],
[
... | [
-175.46488283
] | [] | [] | [
{
"cartesian_site_positions": [
[
1.7975162267684937,
0.9098807573318483,
19.540882110595703
]
],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
]... | [
-3.477
] | [] | [] | [] | [] | [
{
"cartesian_site_positions": [
[
0,
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],
[
0,
0,
13.98139476776123
],
[
0,
2.54207181930542,
16.523466110229492
],
[
0.029822841286659237,
0.04805... | [] | [] | [] | [] | [] | 86,980 | -0.293024 | -175.464883 | -3.477 | -179.234907 | [
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] |
oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.042284 | [
1,
1,
0
] | {"shift": 0.125, "top": false, "sites_coords": [[5.5, 1.45, 22.46]]} | [] | [] | [
{
"cartesian_site_positions": [
[
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],
[
2.07650258,
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],
[
2.07648597,
3.06888362,
22.51655237
],
[
2.07650258,
5.85078683,
... | [
-306.89656005
] | [] | [] | [
{
"cartesian_site_positions": [
[
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1.4458596706390379,
22.458436965942383
]
],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
],... | [
-3.477
] | [] | [] | [] | [] | [
{
"cartesian_site_positions": [
[
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22.52342987060547
],
[
2.076502561569214,
2.9141688346862793,
19.844621658325195
],
[
2.0840322971343994,
3.1864113807678223,
22.52732276... | [] | [] | [] | [] | [] | 86,990 | -0.042284 | -306.89656 | -3.477 | -310.415844 | [
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1,
1,
1... |
oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | 0.210603 | [
1,
1,
1
] | {"shift": 0.125, "top": false, "sites_coords": [[2.07, 1.2, 21.33]]} | [] | [] | [
{
"cartesian_site_positions": [
[
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],
[
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],
[
0,
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],
[
6.21981897,
5.98502361,
16.4164913
... | [
-162.24857167
] | [] | [] | [
{
"cartesian_site_positions": [
[
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1.197004795074463,
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]
],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
],
... | [
-3.477
] | [] | [] | [] | [] | [
{
"cartesian_site_positions": [
[
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],
[
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],
[
0,
0,
13.030850410461424
],
[
6.... | [] | [] | [] | [] | [] | 86,998 | 0.210603 | -162.248572 | -3.477 | -165.514968 | [
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2
] |
oc20-is2re_all_val_ood_cat_data | Hgas + star -> Hstar | -0.274933 | [
2,
0,
1
] | {"shift": 0.106, "top": false, "sites_coords": [[2.06, 5.82, 19.94]]} | [] | [] | [
{
"cartesian_site_positions": [
[
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],
[
2.06239095,
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],
[
2.06239099,
12.63628866,
8.93107819
],
[
2.06239092,
1.15761668,
... | [
-311.68382145
] | [] | [] | [
{
"cartesian_site_positions": [
[
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]
],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
],
... | [
-3.477
] | [] | [] | [] | [] | [
{
"cartesian_site_positions": [
[
2.0623910427093506,
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],
[
2.0623910427093506,
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12.997389793395996
],
[
2.0623910427093506,
12.6362886428833,
8.9310779571... | [] | [] | [] | [] | [] | 87,017 | -0.274933 | -311.683821 | -3.477 | -315.435754 | [
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1... |
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