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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.56643 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.582457 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.138218 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -3.148864 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.628272 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.274123 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.282782 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.427893 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.024797 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.605025 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.425469 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.194193 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.961871 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.329138 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.68862 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 1.021176 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.226486 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.295282 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.923184 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.48 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.080119 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.802775 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.266091 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.317564 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.373163 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.016229 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.546353 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.667747 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.43989 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.549802 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.01401 | [
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[
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2.43602305,... | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -2.802228 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.318341 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 1.527725 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.032355 | [
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22.2432556152343... | [] | [] | [] | [] | [] | 386,042 |
oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.312746 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.789117 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.854792 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 1.443115 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.788427 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.071379 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.509368 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.769852 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.193277 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.869595 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.140325 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.214048 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.532293 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.539352 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.269807 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.402732 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.791007 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.190764 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.485507 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.483602 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.352154 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.087052 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.580172 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 1.520842 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.743607 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.862633 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.710894 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.58688 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 3.254265 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.734104 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.688624 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.729812 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.997396 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.403208 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 2.081621 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.752636 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.433871 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.477435 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.06036 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.375085 | [
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oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.866429 | [
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[
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],
[
... | [
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] | [] | [] | [
{
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],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
]... | [
-3.477
] | [] | [] | [] | [] | [
{
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0,
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],
[
7.864464759826659,
9.7740430... | [] | [] | [] | [] | [] | 459,856 |
oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.044274 | [
1,
1,
0
] | {"shift": 0.25, "top": true, "sites_coords": [[10.85, 6.37, 18.7]]} | [] | [] | [
{
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[
0,
2.9426364,
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],
[
0,
0,
12.7419895
],
[
0,
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14.44092125
],
[
0,
0,
16.1398533
],
[
0.00000112,
... | [
-470.04713185
] | [] | [] | [
{
"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
] | [] | [] | [] | [] | [
{
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0,
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0,
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],
[
0,
2.942636489868164,
14.44092082977295
],
[
0,
0,
16.1398525238... | [] | [] | [] | [] | [] | 460,241 |
oc20-is2re_all_train_data | Hgas + star -> Hstar | 0.91243 | [
1,
1,
0
] | {"shift": 0.059, "top": false, "sites_coords": [[12.21, 3.39, 21.23]]} | [] | [] | [
{
"cartesian_site_positions": [
[
2.95912778,
5.58246072,
14.04126112
],
[
5.93341421,
0.84137248,
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],
[
4.76902322,
2.21144967,
19.29838017
],
[
5.8936227,
11.50882101,
... | [
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] | [] | [] | [
{
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[
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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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17.618326187133793
],
[
4.765503406524658,
2.202930927276611,
19.305210113... | [] | [] | [] | [] | [] | 460,596 |
oc20-is2re_all_train_data | Hgas + star -> Hstar | -1.554761 | [
0,
1,
1
] | {"shift": 0.113, "top": false, "sites_coords": [[0.0, 8.88, 19.77]]} | [] | [] | [
{
"cartesian_site_positions": [
[
0,
6.85707221,
13.0669044
],
[
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19.6502529
],
[
0.00007876,
3.8376419,
20.66276152
],
[
0,
9.5455363,
15.81786934
... | [
-128.36849477
] | [] | [] | [
{
"cartesian_site_positions": [
[
0,
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19.769813537597653
]
],
"chemical_formula_anonymous": "A",
"chemical_formula_descriptive": "H1",
"chemical_formula_reduced": "H",
"dimension_types": [
0,
0,
0
],
"elements": ... | [
-3.477
] | [] | [] | [] | [] | [
{
"cartesian_site_positions": [
[
0,
6.857072353363038,
13.066904067993164
],
[
0.0009134583524428309,
1.0695633888244631,
21.01238250732422
],
[
-0.005093530286103487,
3.9225921630859375,
20.68105697631836
... | [] | [] | [] | [] | [] | 464,179 |
oc20-is2re_all_train_data | Hgas + star -> Hstar | -0.76232 | [
0,
1,
1
] | {"shift": 0.142, "top": true, "sites_coords": [[2.43, 5.22, 20.1]]} | [] | [] | [
{
"cartesian_site_positions": [
[
2.42706983,
7.75569889,
19.78375273
],
[
2.4273917,
3.28068013,
15.75514842
],
[
0.80889382,
0.92480977,
18.56270543
],
[
0.80913054,
4.99139467,
... | [
-319.94712879
] | [] | [] | [
{
"cartesian_site_positions": [
[
2.427391767501831,
5.219668865203857,
20.103199005126953
]
],
"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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],
[
2.427391767501831,
3.2806801795959473,
15.755148887634277
],
[
0.8149921894073486,
0.9198588728904724,
18.555118560... | [] | [] | [] | [] | [] | 468,968 |
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