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{
"id": "jvasp-21400",
"created_at": "2022-09-04T14:38:32.923006Z",
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{
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{
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"structure_string": "Cu4 P8 H16 O16\n1.0\n5.373505 0.000000 0.000000\n-0.000000 6.261680 0.000000\n0.000000 0.000000 13.950952\nCu P H O\n4 8 16 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.453506 0.104279 0.132159 P\n0.953505 0.395721 0.867840 P\n0.546493 0.604279 0.367841 P\n0.046494 0.895721 0.632159 P\n0.546493 0.895721 0.867840 P\n0.046494 0.604279 0.132159 P\n0.453506 0.395721 0.632159 P\n0.953505 0.104279 0.367841 P\n0.018621 0.781926 0.719158 H\n0.518621 0.718074 0.280842 H\n0.420197 0.409282 0.352895 H\n0.481378 0.218074 0.219158 H\n0.079803 0.909282 0.352895 H\n0.579802 0.590718 0.647105 H\n0.920196 0.409282 0.147105 H\n0.420197 0.090718 0.852895 H\n0.920196 0.090718 0.647105 H\n0.518621 0.781926 0.780842 H\n0.079803 0.590718 0.852895 H\n0.579802 0.909282 0.147105 H\n0.981378 0.218074 0.280842 H\n0.481378 0.281926 0.719158 H\n0.018621 0.718074 0.219158 H\n0.981378 0.281926 0.780842 H\n0.326257 0.935964 0.620726 O\n0.826256 0.564036 0.379274 O\n0.673742 0.435964 0.879274 O\n0.595001 0.284277 0.550564 O\n0.904997 0.715723 0.050564 O\n0.404998 0.784277 0.949436 O\n0.904997 0.784277 0.550564 O\n0.404998 0.715723 0.449436 O\n0.095002 0.215723 0.449436 O\n0.595001 0.215723 0.050564 O\n0.673742 0.064036 0.379274 O\n0.173743 0.435964 0.620726 O\n0.326257 0.564036 0.120726 O\n0.826256 0.935964 0.879274 O\n0.173743 0.064036 0.120726 O\n0.095002 0.284277 0.949436 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:30.516521Z",
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"structure_string": "Li4 Fe6 Ni2 O16\n1.0\n5.582607 0.000002 0.000047\n-2.791302 4.834675 -0.000096\n0.000124 -0.000215 9.383512\nLi Fe Ni O\n4 6 2 16\ndirect\n0.333332 0.666682 0.896407 Li\n0.000081 0.000050 0.995486 Li\n0.999918 0.999968 0.495486 Li\n0.666667 0.333349 0.396407 Li\n0.826561 0.653151 0.713177 Fe\n0.346821 0.173421 0.713166 Fe\n0.826562 0.173427 0.713175 Fe\n0.173438 0.346865 0.213174 Fe\n0.173439 0.826591 0.213177 Fe\n0.653179 0.826601 0.213166 Fe\n0.333303 0.666662 0.490519 Ni\n0.666696 0.333358 0.990519 Ni\n0.322911 0.161462 0.105024 O\n0.838605 0.677166 0.104999 O\n0.666645 0.333326 0.598991 O\n0.517352 0.034746 0.836366 O\n0.517358 0.482636 0.836368 O\n0.677089 0.838551 0.605023 O\n0.482647 0.517394 0.336366 O\n0.034737 0.517383 0.336363 O\n0.161402 0.322855 0.605002 O\n0.999996 0.000013 0.808878 O\n0.000002 0.000017 0.308877 O\n0.333355 0.666682 0.098991 O\n0.965263 0.482644 0.836363 O\n0.161396 0.838562 0.604999 O\n0.482642 0.965279 0.336368 O\n0.838598 0.161453 0.105002 O\n",
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{
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"structure_string": "Li1 V6 O7 F5\n1.0\n5.259655 0.002085 1.770581\n1.163169 5.212412 1.866833\n0.010886 0.067493 7.378759\nLi V O F\n1 6 7 5\ndirect\n0.985661 0.483027 0.524672 Li\n0.644418 0.684592 0.849250 V\n0.399409 0.317040 0.698960 V\n0.632874 0.676148 0.323276 V\n-0.000865 0.021424 0.486101 V\n0.290352 0.318621 0.162190 V\n0.013120 0.970334 0.995453 V\n0.297068 0.678646 -0.002267 O\n0.753672 0.773928 0.036108 O\n0.937059 0.372231 0.325075 O\n0.651547 0.023103 0.669214 O\n0.605793 0.557030 0.633631 O\n0.234210 0.210612 0.966987 O\n0.357044 0.968472 0.336925 O\n0.383874 0.441274 0.381974 F\n0.056911 0.639940 0.675505 F\n0.095344 0.133367 0.688083 F\n0.909070 0.871829 0.304789 F\n0.693375 0.291453 0.016725 F\n",
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"structure_string": "Y1 Be2 Ir1\n1.0\n2.980021 0.000000 0.000000\n0.000000 2.980021 0.000000\n0.000000 0.000000 6.489129\nY Be Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.826498 Be\n0.000000 0.000000 0.173502 Be\n0.500000 0.500000 0.000000 Ir\n",
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{
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"structure_string": "Ca1 Ti4 S8\n1.0\n6.142693 -0.015136 4.686412\n2.310673 5.691546 4.686412\n-0.022540 -0.015136 7.726231\nCa Ti S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500000 0.999999 0.500001 Ti\n0.999999 0.499999 0.500001 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.763367 0.255541 0.763368 S\n0.236632 0.236632 0.744459 S\n0.236631 0.744460 0.236632 S\n0.744457 0.236632 0.236633 S\n0.261975 0.261976 0.261975 S\n0.738024 0.738024 0.738025 S\n0.255542 0.763368 0.763367 S\n0.763368 0.763368 0.255541 S\n",
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"structure_string": "Li1 V6 O7 F5\n1.0\n4.825525 -0.025087 -0.022818\n0.251679 5.561854 0.007500\n0.192159 0.712366 7.542454\nLi V O F\n1 6 7 5\ndirect\n0.496636 0.847166 0.152773 Li\n-0.000457 0.005256 0.971658 V\n0.441900 0.462387 -0.000259 V\n0.558469 0.213885 0.327274 V\n0.519875 0.844433 0.668131 V\n0.989945 0.671702 0.339197 V\n0.987646 0.313557 0.668317 V\n0.829791 0.377690 0.433393 O\n0.813697 0.017685 0.751515 O\n0.678522 0.882716 0.415587 O\n0.326351 0.796799 0.910513 O\n0.323055 0.501178 0.237856 O\n0.175424 0.300255 0.896978 O\n0.679230 0.178763 0.089024 O\n0.673501 0.511687 0.763892 F\n0.175554 0.992177 0.228469 F\n0.185138 0.648344 0.579311 F\n0.326731 0.157483 0.564886 F\n0.820293 0.685699 0.089433 F\n",
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{
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{
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}