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{
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{
"id": "mp-1046452",
"created_at": "2022-09-04T14:42:50.234643Z",
"structure_string": "Sr4 Al2 Cu4 Sn2 O14\n1.0\n5.228601 -0.015317 -1.206101\n-0.297267 5.259550 -1.222419\n0.143578 0.154242 12.519275\nSr Al Cu Sn O\n4 2 4 2 14\ndirect\n0.339682 0.358886 0.719843 Sr\n0.618433 0.646979 0.282147 Sr\n0.841728 0.864629 0.719121 Sr\n0.114206 0.135184 0.281299 Sr\n0.984740 0.991607 0.000128 Al\n0.488854 0.507672 0.000799 Al\n0.930852 0.442274 0.886654 Cu\n0.034373 0.549533 0.108187 Cu\n0.432572 0.949625 0.892393 Cu\n0.535377 0.059428 0.113675 Cu\n0.266773 0.709481 0.500789 Sn\n0.754025 0.267054 0.500932 Sn\n0.141943 0.347026 0.500652 O\n0.646403 0.643575 0.500736 O\n0.261780 0.274093 0.897284 O\n0.352158 0.727876 0.103792 O\n0.759280 0.123077 0.897354 O\n0.852514 0.869212 0.103888 O\n0.610830 0.627755 0.893782 O\n0.708373 0.381018 0.107630 O\n0.111223 0.772548 0.892995 O\n0.205052 0.226158 0.106625 O\n0.302668 0.860897 0.665640 O\n0.637516 0.152047 0.324778 O\n0.816333 0.328868 0.677109 O\n0.135655 0.695735 0.336087 O\n",
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"density": 5.37256474338037,
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"volume_molar": 8.018220850614995,
"formula_full": "Sr4 Al2 Cu4 Sn2 O14",
"formula_reduced": "Sr2AlCu2SnO7",
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"energy": -165.85090307,
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"updated_at": "2021-11-28T01:35:52.055000Z",
"spacegroup": 1
},
{
"id": "mp-1369848",
"created_at": "2022-09-04T14:40:43.745736Z",
"structure_string": "Sr4 Al2 Cu4 Sn2 O14\n1.0\n5.365928 0.000000 0.000000\n-0.029910 5.407832 0.000000\n-2.661521 -2.705226 11.929780\nSr Al Cu Sn O\n4 2 4 2 14\ndirect\n0.660318 0.641114 0.719843 Sr\n0.381567 0.353021 0.282147 Sr\n0.158272 0.135371 0.719121 Sr\n0.885794 0.864816 0.281299 Sr\n0.015260 0.008393 0.000128 Al\n0.511146 0.492328 0.000799 Al\n0.069148 0.557726 0.886654 Cu\n0.965627 0.450467 0.108187 Cu\n0.567428 0.050375 0.892393 Cu\n0.464623 0.940572 0.113675 Cu\n0.733227 0.290519 0.500789 Sn\n0.245975 0.732946 0.500932 Sn\n0.858057 0.652974 0.500652 O\n0.353597 0.356425 0.500736 O\n0.738220 0.725907 0.897284 O\n0.647842 0.272124 0.103792 O\n0.240720 0.876923 0.897354 O\n0.147486 0.130788 0.103888 O\n0.389170 0.372245 0.893782 O\n0.291627 0.618982 0.107630 O\n0.888777 0.227452 0.892995 O\n0.794948 0.773842 0.106625 O\n0.697332 0.139103 0.665640 O\n0.362484 0.847953 0.324778 O\n0.183667 0.671132 0.677109 O\n0.864345 0.304265 0.336087 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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],
"chemical_system": "Al-Cu-O-Sn-Sr",
"density": 5.372564651114875,
"density_atomic": 0.0751056969965743,
"volume": 346.1787992086127,
"volume_molar": 8.018220988315546,
"formula_full": "Sr4 Al2 Cu4 Sn2 O14",
"formula_reduced": "Sr2AlCu2SnO7",
"formula_anonymous": "ABC2D2E7",
"energy": -145.14231282,
"energy_per_atom": -5.582396646923077,
"energy_above_hull": null,
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"energy_uncorrected": -135.52431282,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0974312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.980000Z",
"spacegroup": 1
},
{
"id": "mp-1251156",
"created_at": "2022-09-04T14:47:07.611671Z",
"structure_string": "Sr4 Al2 Cu6 O14\n1.0\n5.220034 -0.003952 -1.203963\n-0.281377 5.163575 -1.201997\n0.036954 0.083390 12.058741\nSr Al Cu O\n4 2 6 14\ndirect\n0.334846 0.346616 0.698356 Sr\n0.639700 0.657327 0.302386 Sr\n0.834946 0.854382 0.698277 Sr\n0.140211 0.151056 0.302168 Sr\n0.985500 0.002301 0.000152 Al\n0.482523 0.496067 0.000466 Al\n0.259286 0.698302 0.500357 Cu\n0.759087 0.304662 0.500207 Cu\n0.921607 0.440476 0.879530 Cu\n0.046132 0.562975 0.121298 Cu\n0.422499 0.937814 0.879428 Cu\n0.547703 0.061265 0.121295 Cu\n0.102373 0.360143 0.500157 O\n0.602223 0.641272 0.500092 O\n0.249180 0.266408 0.889651 O\n0.363536 0.733147 0.109619 O\n0.750136 0.122920 0.891120 O\n0.865629 0.881451 0.110924 O\n0.605736 0.621835 0.892122 O\n0.718797 0.379259 0.110173 O\n0.104945 0.768585 0.890606 O\n0.220059 0.234559 0.108501 O\n0.312282 0.834105 0.661678 O\n0.651914 0.168258 0.338489 O\n0.811383 0.328825 0.661427 O\n0.152412 0.674251 0.338810 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Al-Cu-O-Sr",
"density": 5.146302694978232,
"density_atomic": 0.07980362674819351,
"volume": 325.79972940375865,
"volume_molar": 7.546199346305174,
"formula_full": "Sr4 Al2 Cu6 O14",
"formula_reduced": "Sr2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy": -161.00039747,
"energy_per_atom": -6.192322979615384,
"energy_above_hull": null,
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"total_magnetization": 2.39e-05,
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"updated_at": "2021-11-28T01:37:58.938000Z",
"spacegroup": 46
},
{
"id": "mp-1046382",
"created_at": "2022-09-04T14:39:08.371473Z",
"structure_string": "Sr4 Al2 Cu6 O14\n1.0\n5.223418 -0.001618 -1.202079\n-0.279168 5.154045 -1.199840\n0.054712 0.102748 12.116649\nSr Al Cu O\n4 2 6 14\ndirect\n0.332800 0.347084 0.697986 Sr\n0.637495 0.659455 0.302852 Sr\n0.832028 0.855907 0.697599 Sr\n0.138787 0.153010 0.302233 Sr\n0.987623 0.002033 0.000094 Al\n0.484038 0.492721 0.000698 Al\n0.259398 0.695531 0.500291 Cu\n0.760413 0.307288 0.500231 Cu\n0.921833 0.441312 0.880529 Cu\n0.046607 0.562919 0.119967 Cu\n0.422521 0.937127 0.880875 Cu\n0.549176 0.060629 0.120385 Cu\n0.104931 0.355470 0.500086 O\n0.603062 0.639824 0.500209 O\n0.249607 0.265283 0.889969 O\n0.363355 0.733528 0.107666 O\n0.749095 0.124438 0.893157 O\n0.868081 0.882233 0.110567 O\n0.604256 0.621798 0.892758 O\n0.719977 0.381092 0.111527 O\n0.102377 0.769238 0.889334 O\n0.221372 0.235564 0.107737 O\n0.311315 0.832945 0.660984 O\n0.651657 0.169475 0.338880 O\n0.810521 0.329068 0.661174 O\n0.152318 0.673289 0.339500 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Cu-O-Sr",
"density": 5.124072015115956,
"density_atomic": 0.07945889598064289,
"volume": 327.2132047534854,
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"formula_full": "Sr4 Al2 Cu6 O14",
"formula_reduced": "Sr2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy": -161.17291672,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.632000Z",
"spacegroup": 9
},
{
"id": "mp-1042742",
"created_at": "2022-09-04T14:47:08.009549Z",
"structure_string": "Sr4 Al2 Fe2 Cu4 O14\n1.0\n2.654633 11.903877 0.000000\n-2.654633 11.903877 0.000000\n0.000000 1.224399 5.267036\nSr Al Fe Cu O\n4 2 2 4 14\ndirect\n0.633834 0.664362 0.361230 Sr\n0.335638 0.366166 0.638770 Sr\n0.133403 0.164885 0.832192 Sr\n0.835115 0.866597 0.167808 Sr\n0.984057 0.015943 0.000000 Al\n0.488371 0.511629 0.500000 Al\n0.775877 0.724532 0.812837 Fe\n0.275468 0.224123 0.187163 Fe\n0.041477 0.075544 0.438050 Cu\n0.924456 0.958523 0.561950 Cu\n0.539741 0.577722 0.942321 Cu\n0.422278 0.460259 0.057679 Cu\n0.642190 0.858290 0.147253 O\n0.141710 0.357810 0.852747 O\n0.355780 0.751644 0.623579 O\n0.248356 0.644220 0.376421 O\n0.852998 0.252292 0.764416 O\n0.747708 0.147002 0.235584 O\n0.712777 0.397187 0.267903 O\n0.602813 0.287223 0.732097 O\n0.210661 0.901187 0.117760 O\n0.098813 0.789339 0.882240 O\n0.636584 0.709425 0.790887 O\n0.290575 0.363416 0.209113 O\n0.135062 0.211262 0.356743 O\n0.788738 0.864938 0.643257 O\n",
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"elements": [
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],
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"density": 4.959993700377841,
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"volume": 332.8811491482726,
"volume_molar": 7.710219755851737,
"formula_full": "Sr4 Al2 Fe2 Cu4 O14",
"formula_reduced": "Sr2AlFeCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -174.14109236,
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"updated_at": "2021-11-28T01:37:57.760000Z",
"spacegroup": 5
},
{
"id": "mp-1267964",
"created_at": "2022-09-04T14:41:07.555862Z",
"structure_string": "Sr4 Al2 Fe2 Cu4 O14\n1.0\n5.179250 0.003043 -1.194382\n-0.279851 5.254080 -1.225786\n0.087588 0.071627 12.205086\nSr Al Fe Cu O\n4 2 2 4 14\ndirect\n0.338133 0.335973 0.702471 Sr\n0.636851 0.662143 0.297847 Sr\n0.838255 0.865213 0.702360 Sr\n0.136223 0.133517 0.297881 Sr\n0.981734 0.997931 0.000173 Al\n0.483217 0.496674 0.000198 Al\n0.278439 0.682848 0.500181 Fe\n0.778292 0.315985 0.500148 Fe\n0.922172 0.441504 0.883186 Cu\n0.040369 0.554656 0.117307 Cu\n0.421897 0.938242 0.883045 Cu\n0.539827 0.056840 0.117356 Cu\n0.144915 0.348182 0.500507 O\n0.644927 0.651025 0.500052 O\n0.249041 0.266653 0.893213 O\n0.356699 0.728548 0.106891 O\n0.748826 0.123790 0.893458 O\n0.856722 0.872697 0.107216 O\n0.601264 0.619421 0.890794 O\n0.711623 0.375525 0.109924 O\n0.100479 0.767532 0.890308 O\n0.211154 0.227832 0.109401 O\n0.293483 0.858694 0.654325 O\n0.639373 0.140929 0.346020 O\n0.792143 0.294143 0.654060 O\n0.139371 0.703401 0.345903 O\n",
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"elements": [
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],
"chemical_system": "Al-Cu-Fe-O-Sr",
"density": 4.955759584827792,
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"volume": 333.165557063104,
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"formula_full": "Sr4 Al2 Fe2 Cu4 O14",
"formula_reduced": "Sr2AlFeCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -174.12888121999998,
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"updated_at": "2021-11-28T01:35:16.367000Z",
"spacegroup": 46
},
{
"id": "mp-1252807",
"created_at": "2022-09-04T14:44:25.625553Z",
"structure_string": "Sr4 Al2 Ga2 Co4 O14\n1.0\n5.295118 -0.003193 -1.218010\n-0.293249 5.482398 -1.276697\n-0.085800 -0.136348 11.760495\nSr Al Ga Co O\n4 2 2 4 14\ndirect\n0.149993 0.172653 0.299121 Sr\n0.851520 0.827226 0.701511 Sr\n0.651028 0.622390 0.299906 Sr\n0.350318 0.376074 0.701340 Sr\n0.503323 0.499503 0.001476 Al\n0.003442 0.000549 0.001210 Al\n0.218461 0.821908 0.501091 Ga\n0.717963 0.177539 0.498548 Ga\n0.438383 0.943280 0.869074 Co\n0.071435 0.574008 0.132814 Co\n0.939102 0.428651 0.873238 Co\n0.571288 0.056218 0.134722 Co\n0.873008 0.227268 0.107169 O\n0.872413 0.876580 0.500044 O\n0.373422 0.378084 0.107779 O\n0.857604 0.376349 0.650451 O\n0.614495 0.276373 0.884975 O\n0.113437 0.109592 0.885069 O\n0.373099 0.122564 0.500342 O\n0.267242 0.620126 0.894584 O\n0.768337 0.772562 0.894542 O\n0.355041 0.785463 0.656545 O\n0.201093 0.625707 0.347070 O\n0.697276 0.211990 0.342669 O\n0.728996 0.723789 0.117556 O\n0.228951 0.890884 0.116945 O\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Al-Co-Ga-O-Sr",
"density": 4.903724282208263,
"density_atomic": 0.07650394278045436,
"volume": 339.8517652170291,
"volume_molar": 7.871673721813159,
"formula_full": "Sr4 Al2 Ga2 Co4 O14",
"formula_reduced": "Sr2AlGaCo2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -179.93142038000002,
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"updated_at": "2021-11-28T01:36:38.645000Z",
"spacegroup": 5
},
{
"id": "mp-1046779",
"created_at": "2022-09-04T14:42:03.448208Z",
"structure_string": "Sr4 Al2 Ga2 Co4 O14\n1.0\n5.409798 0.000000 0.000000\n-0.022407 5.623824 0.000000\n-2.687459 -2.776335 11.166277\nSr Al Ga Co O\n4 2 2 4 14\ndirect\n0.149344 0.170676 0.298798 Sr\n0.850807 0.826952 0.700601 Sr\n0.649949 0.625110 0.299810 Sr\n0.348966 0.371426 0.699441 Sr\n0.508231 0.498718 0.003283 Al\n0.005664 0.004374 0.001886 Al\n0.215951 0.820179 0.500397 Ga\n0.715926 0.176087 0.497486 Ga\n0.439331 0.943559 0.869481 Co\n0.068053 0.568045 0.126757 Co\n0.946791 0.441288 0.884904 Co\n0.570995 0.056706 0.134639 Co\n0.873416 0.228176 0.106600 O\n0.867488 0.872229 0.499849 O\n0.375928 0.375204 0.107229 O\n0.852406 0.373302 0.647602 O\n0.625701 0.283511 0.886100 O\n0.120028 0.106768 0.885255 O\n0.367378 0.123728 0.499627 O\n0.264690 0.611606 0.895519 O\n0.767293 0.778407 0.895759 O\n0.352976 0.785000 0.656176 O\n0.199289 0.627670 0.347271 O\n0.696430 0.212235 0.342695 O\n0.728921 0.725805 0.117282 O\n0.228718 0.890569 0.115343 O\n",
"nsites": 26,
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"elements": [
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],
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"formula_full": "Sr4 Al2 Ga2 Co4 O14",
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"spacegroup": 1
},
{
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"formula_full": "Sr4 Al2 Ga2 Cu4 O14",
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},
{
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"structure_string": "Sr4 Al2 Ga2 Fe4 O14\n1.0\n2.880087 11.418478 0.000000\n-2.880087 11.418478 0.000000\n0.000000 1.321482 5.349272\nSr Al Ga Fe O\n4 2 2 4 14\ndirect\n0.118482 0.686099 0.844737 Sr\n0.873955 0.327284 0.145355 Sr\n0.686099 0.118482 0.344737 Sr\n0.327284 0.873955 0.645355 Sr\n0.505237 0.001913 0.503321 Al\n0.001913 0.505237 0.003321 Al\n0.673318 0.328506 0.716136 Ga\n0.328506 0.673318 0.216136 Ga\n0.937888 0.447920 0.560145 Fe\n0.558790 0.081205 0.933630 Fe\n0.447920 0.937888 0.060145 Fe\n0.081205 0.558790 0.433630 Fe\n0.891881 0.718497 0.757857 O\n0.612332 0.390471 0.374107 O\n0.718497 0.891881 0.257857 O\n0.267030 0.884462 0.202567 O\n0.608393 0.780235 0.726870 O\n0.780235 0.608393 0.226870 O\n0.390471 0.612332 0.874107 O\n0.277276 0.122097 0.378730 O\n0.122097 0.277276 0.878730 O\n0.884462 0.267030 0.702567 O\n0.715828 0.131357 0.848334 O\n0.131357 0.715828 0.348334 O\n0.405980 0.216127 0.614952 O\n0.216127 0.405980 0.114952 O\n",
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"formula_full": "Sr4 Al2 Ga2 Fe4 O14",
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},
{
"id": "mp-1342473",
"created_at": "2022-09-04T14:43:38.773837Z",
"structure_string": "Sr4 Al2 Ga2 Ni4 O14\n1.0\n2.588058 11.414725 0.000000\n-2.588058 11.414725 0.000000\n0.000000 0.651547 5.607677\nSr Al Ga Ni O\n4 2 2 4 14\ndirect\n0.844678 0.349853 0.252615 Sr\n0.155285 0.639685 0.746410 Sr\n0.349853 0.844678 0.752615 Sr\n0.639685 0.155285 0.246410 Sr\n0.498990 0.995788 0.499700 Al\n0.995788 0.498990 0.999700 Al\n0.301131 0.689792 0.206559 Ga\n0.689792 0.301131 0.706559 Ga\n0.072104 0.536397 0.364796 Ni\n0.458238 0.922218 0.137490 Ni\n0.536397 0.072104 0.864796 Ni\n0.922218 0.458238 0.637490 Ni\n0.281691 0.153980 0.825865 O\n0.365324 0.622045 0.874888 O\n0.153980 0.281691 0.325865 O\n0.724312 0.114170 0.809291 O\n0.414962 0.221983 0.529412 O\n0.221983 0.414962 0.029412 O\n0.622045 0.365324 0.374888 O\n0.711591 0.840879 0.176841 O\n0.840879 0.711591 0.676841 O\n0.114170 0.724312 0.309291 O\n0.283575 0.864928 0.211467 O\n0.864928 0.283575 0.711467 O\n0.771157 0.580742 0.971742 O\n0.580742 0.771157 0.471742 O\n",
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],
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"formula_full": "Sr4 Al2 Ga2 Ni4 O14",
"formula_reduced": "Sr2AlGaNi2O7",
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},
{
"id": "mp-1048033",
"created_at": "2022-09-04T14:40:09.186812Z",
"structure_string": "Sr4 Al2 Ga2 Sn4 O14\n1.0\n-5.752898 0.000000 0.000000\n-0.013467 -6.585190 0.000000\n2.856682 3.261010 11.401595\nSr Al Ga Sn O\n4 2 2 4 14\ndirect\n0.151767 0.228582 0.321592 Sr\n0.831560 0.793194 0.674633 Sr\n0.659080 0.620757 0.326975 Sr\n0.329216 0.405931 0.678944 Sr\n0.543007 0.296010 0.064923 Al\n0.981392 0.731086 0.938381 Al\n0.210409 0.846907 0.499125 Ga\n0.699648 0.156868 0.500593 Ga\n0.428408 0.000020 0.848966 Sn\n0.083815 0.652894 0.157555 Sn\n0.901433 0.325337 0.807427 Sn\n0.597846 0.021789 0.194319 Sn\n0.829799 0.407683 0.144486 O\n0.872626 0.913433 0.500828 O\n0.336235 0.419261 0.140987 O\n0.830874 0.387416 0.635527 O\n0.612164 0.124200 0.747436 O\n0.133448 0.117801 0.752794 O\n0.366827 0.112614 0.500244 O\n0.189811 0.761853 0.857694 O\n0.700109 0.784983 0.863454 O\n0.330300 0.742757 0.628603 O\n0.195702 0.617651 0.365436 O\n0.699245 0.254999 0.366620 O\n0.883002 0.870206 0.249951 O\n0.368728 0.880958 0.254170 O\n",
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}
]
}