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{
"id": "jvasp-48458",
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"structure_string": "Mn6 O2 F10\n1.0\n0.000000 5.804903 -0.010893\n4.791449 0.000000 0.000000\n0.000000 -0.283571 -8.041623\nMn O F\n6 2 10\ndirect\n0.410142 0.471711 0.668240 Mn\n0.745848 0.517985 0.015828 Mn\n0.064633 0.518021 0.327104 Mn\n0.935367 0.018021 0.672896 Mn\n0.589857 0.971711 0.331759 Mn\n0.254152 0.017984 0.984171 Mn\n0.220496 0.193607 0.771777 O\n0.779504 0.693607 0.228222 O\n0.281925 0.812302 0.214473 F\n0.445917 0.702331 0.898158 F\n0.126885 0.695834 0.562128 F\n0.375412 0.292230 0.423942 F\n0.554083 0.202331 0.101841 F\n0.718075 0.312302 0.785526 F\n0.873115 0.195834 0.437871 F\n0.944728 0.795981 0.900905 F\n0.055272 0.295981 0.099094 F\n0.624587 0.792230 0.576057 F\n",
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{
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"structure_string": "Mn2 Si4 Ni2\n1.0\n4.516378 0.000000 0.000000\n0.000000 4.516740 0.064439\n0.000000 -0.005199 4.543325\nMn Si Ni\n2 4 2\ndirect\n0.358133 0.636761 0.611164 Mn\n0.858133 0.363239 0.388835 Mn\n0.661880 0.348654 0.905898 Si\n0.161879 0.651346 0.094101 Si\n0.342749 0.150940 0.416825 Si\n0.842749 0.849059 0.583174 Si\n0.637239 0.862510 0.104271 Ni\n0.137239 0.137490 0.895728 Ni\n",
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"structure_string": "H28 C32\n1.0\n7.802328 0.000000 -2.509177\n0.000000 7.919371 0.000000\n-0.007794 0.000000 8.574330\nH C\n28 32\ndirect\n0.535075 0.709925 0.011686 H\n0.083516 0.281634 0.310148 H\n0.916485 0.781634 0.689852 H\n0.196634 0.292676 0.522378 H\n0.803367 0.792676 0.477622 H\n0.183373 0.098875 0.412215 H\n0.816628 0.598875 0.587785 H\n0.832292 0.472500 0.352881 H\n0.368942 0.070212 0.673869 H\n0.631059 0.570212 0.326130 H\n0.335846 0.946120 0.831911 H\n0.664155 0.446120 0.168089 H\n0.838686 0.095658 0.208366 H\n0.161315 0.595658 0.791634 H\n0.167709 0.972500 0.647119 H\n0.456534 0.556811 0.779336 H\n0.543466 0.056811 0.220664 H\n0.464926 0.209925 0.988314 H\n0.623043 0.914963 0.831970 H\n0.376958 0.414963 0.168030 H\n0.067201 0.481938 0.109384 H\n0.226005 0.935713 0.044307 H\n0.932800 0.981938 0.890616 H\n0.773995 0.435713 0.955693 H\n0.446418 0.795863 0.273271 H\n0.553583 0.295863 0.726729 H\n0.528184 0.655267 0.532572 H\n0.471817 0.155268 0.467428 H\n0.811985 0.117302 0.323712 C\n0.356109 0.600167 0.671447 C\n0.643891 0.100167 0.328552 C\n0.188015 0.617302 0.676288 C\n0.604584 0.151642 0.466811 C\n0.054078 0.670700 0.540895 C\n0.273891 0.037650 0.735505 C\n0.088068 0.702790 0.389811 C\n0.911933 0.202790 0.610188 C\n0.958239 0.744946 0.234721 C\n0.041761 0.244946 0.765279 C\n0.726110 0.537650 0.264495 C\n0.395417 0.651642 0.533189 C\n0.945923 0.170700 0.459105 C\n0.735220 0.208757 0.605927 C\n0.215145 0.187484 0.813300 C\n0.689179 0.288092 0.736763 C\n0.310822 0.788092 0.263237 C\n0.809818 0.363393 0.863089 C\n0.190183 0.863393 0.136910 C\n0.988679 0.341572 0.883049 C\n0.011321 0.841572 0.116951 C\n0.111053 0.404746 0.024947 C\n0.888948 0.904746 0.975053 C\n0.283027 0.366572 0.057800 C\n0.716974 0.866572 0.942200 C\n0.332349 0.254072 0.954508 C\n0.667651 0.754072 0.045492 C\n0.887345 0.712799 0.573283 C\n0.784856 0.687484 0.186700 C\n0.264781 0.708757 0.394073 C\n0.112655 0.212799 0.426717 C\n",
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{
"id": "jvasp-12737",
"created_at": "2022-09-04T14:36:30.994265Z",
"updated_at": "2022-09-04T14:36:30.994294Z",
"structure_string": "Cu2 I4 O12\n1.0\n0.000000 5.607355 -0.025880\n5.012620 0.000000 0.000000\n0.000000 -1.134678 -9.272770\nCu I O\n2 4 12\ndirect\n0.219928 0.595912 0.744957 Cu\n0.780071 0.095912 0.255043 Cu\n0.734840 0.508043 0.931778 I\n0.265158 0.008043 0.068222 I\n0.742080 0.023875 0.598472 I\n0.257918 0.523875 0.401528 I\n0.505155 0.363806 0.791785 O\n0.494844 0.863806 0.208215 O\n0.645394 0.296311 0.081990 O\n0.354604 0.796311 0.918010 O\n0.904995 0.775875 0.726044 O\n0.137995 0.394155 0.565415 O\n0.862004 0.894155 0.434585 O\n0.018929 0.798113 0.116739 O\n0.451562 0.853328 0.585743 O\n0.548437 0.353328 0.414258 O\n0.095004 0.275875 0.273956 O\n0.981070 0.298113 0.883262 O\n",
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{
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"created_at": "2022-09-04T14:36:33.651699Z",
"updated_at": "2022-09-04T14:36:33.651739Z",
"structure_string": "V4 S10\n1.0\n4.168906 0.088619 -0.000042\n0.112922 5.909132 0.000563\n0.000100 -0.000751 13.875304\nV S\n4 10\ndirect\n0.038418 0.075032 0.145285 V\n0.416575 0.912706 0.345489 V\n0.498757 0.924982 0.645282 V\n0.120575 0.087288 0.845491 V\n0.536779 0.908773 0.179699 S\n-0.060896 0.082554 0.327417 S\n0.000384 0.091211 0.679697 S\n0.598026 0.917448 0.827417 S\n0.162500 0.420626 0.874416 S\n0.486493 0.584961 0.628841 S\n0.374590 0.579369 0.374425 S\n0.506519 0.057771 0.498850 S\n0.030609 0.942231 -0.001145 S\n0.050662 0.415048 0.128833 S\n",
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{
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"created_at": "2022-09-04T14:36:33.091423Z",
"updated_at": "2022-09-04T14:36:33.091434Z",
"structure_string": "Ag6 S2 I2\n1.0\n0.000000 4.766963 -0.162550\n7.054312 0.000000 0.000000\n0.000000 0.150934 -7.044118\nAg S I\n6 2 2\ndirect\n0.446597 0.748412 0.511581 Ag\n0.573058 0.705474 0.915663 Ag\n0.426940 0.205474 0.084338 Ag\n0.553401 0.248412 0.488420 Ag\n0.060422 0.550197 0.110863 Ag\n0.939577 0.050197 0.889137 Ag\n0.549620 0.517983 0.229704 S\n0.450378 0.017983 0.770296 S\n-0.004406 0.977932 0.311296 I\n0.004405 0.477932 0.688705 I\n",
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{
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"created_at": "2022-09-04T14:36:34.689401Z",
"updated_at": "2022-09-04T14:36:34.689417Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.473132 -0.057981\n3.394006 0.000000 0.000000\n0.000000 -1.534727 -5.052394\nNa H O\n2 2 2\ndirect\n0.832499 0.200890 0.694564 Na\n0.167500 0.700891 0.305436 Na\n0.544843 0.071051 0.075845 H\n0.455156 0.571051 0.924155 H\n0.652259 0.228099 0.236486 O\n0.347739 0.728100 0.763513 O\n",
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{
"id": "jvasp-42679",
"created_at": "2022-09-04T14:36:35.690296Z",
"updated_at": "2022-09-04T14:36:35.690318Z",
"structure_string": "Fe6 O4 F8\n1.0\n0.000000 5.679586 0.033408\n4.729530 0.000000 0.000000\n0.000000 -0.515693 -7.817317\nFe O F\n6 4 8\ndirect\n0.227146 0.488031 0.496352 Fe\n0.574650 0.491375 0.851482 Fe\n0.898018 0.534077 0.178187 Fe\n0.772855 0.988031 0.503648 Fe\n0.425351 0.991375 0.148518 Fe\n0.101983 0.034077 0.821813 Fe\n0.619565 0.697208 0.067482 O\n0.957046 0.703872 0.397645 O\n0.042955 0.203872 0.602355 O\n0.380437 0.197208 0.932518 O\n0.452940 0.802653 0.400954 F\n0.709601 0.200403 0.271929 F\n0.881187 0.290960 0.945243 F\n0.547061 0.302653 0.599046 F\n0.212688 0.291422 0.261045 F\n0.290401 0.700403 0.728071 F\n0.118815 0.790960 0.054757 F\n0.787313 0.791422 0.738955 F\n",
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{
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"structure_string": "Si2 P2 N6\n1.0\n4.700650 0.000000 0.000000\n0.000000 4.579730 2.605149\n0.000000 -0.008586 5.285319\nSi P N\n2 2 6\ndirect\n0.503502 0.326384 0.676924 Si\n0.003502 0.673615 0.323077 Si\n0.495890 0.994021 0.335106 P\n0.995890 0.005978 0.664895 P\n0.858088 0.331967 0.572069 N\n0.842243 0.915716 0.429688 N\n0.358088 0.668032 0.427932 N\n0.342242 0.084283 0.570313 N\n0.933477 0.769539 0.981349 N\n0.433477 0.230460 0.018652 N\n",
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{
"id": "jvasp-104033",
"created_at": "2022-09-04T14:36:38.800231Z",
"updated_at": "2022-09-04T14:36:38.800254Z",
"structure_string": "H24 C20 O6\n1.0\n7.433632 0.000000 -2.878943\n0.000000 5.193980 0.000000\n0.210151 0.000000 10.766756\nH C O\n24 20 6\ndirect\n0.143107 0.837875 0.286749 H\n0.489280 0.201955 0.653815 H\n0.510719 0.701955 0.346186 H\n0.606918 0.340708 0.807650 H\n0.393081 0.840708 0.192351 H\n0.371635 0.703084 0.750866 H\n0.628365 0.203084 0.249135 H\n0.140500 0.061500 0.674025 H\n0.029626 0.835507 0.831666 H\n0.970374 0.335507 0.168334 H\n0.099356 0.002461 0.060793 H\n0.900643 0.502461 0.939208 H\n0.859499 0.561500 0.325976 H\n0.709504 0.894868 0.867671 H\n0.290496 0.394868 0.132330 H\n0.269017 0.807536 0.456357 H\n0.730982 0.307536 0.543644 H\n0.905762 0.053557 0.408611 H\n0.094238 0.553557 0.591390 H\n0.856893 0.337875 0.713251 H\n0.827587 0.763015 0.532274 H\n0.597876 0.120725 0.027027 H\n0.402124 0.620725 0.972974 H\n0.172413 0.263015 0.467726 H\n0.176129 0.132847 0.775100 C\n0.778618 0.448324 0.625262 C\n0.221381 0.948324 0.374738 C\n0.617240 0.564780 0.646841 C\n0.382760 0.064780 0.353159 C\n0.515523 0.386713 0.707212 C\n0.484476 0.886713 0.292789 C\n0.344327 0.502207 0.716519 C\n0.655672 0.002207 0.283482 C\n0.823871 0.632847 0.224900 C\n0.720433 0.856024 0.186754 C\n0.887599 0.506068 0.135662 C\n0.153103 0.099730 0.992893 C\n0.846896 0.599730 0.007107 C\n0.258967 0.319715 0.032382 C\n0.741032 0.819715 0.967618 C\n0.321673 0.446887 0.942873 C\n0.678326 0.946887 0.057127 C\n0.279566 0.356024 0.813246 C\n0.112401 0.006068 0.864339 C\n0.787477 0.003239 0.414816 O\n0.423722 0.291449 0.380546 O\n0.576278 0.791449 0.619455 O\n0.105293 0.135930 0.398859 O\n0.894706 0.635930 0.601142 O\n0.212523 0.503239 0.585184 O\n",
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{
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"created_at": "2022-09-04T14:36:44.401080Z",
"updated_at": "2022-09-04T14:36:44.401097Z",
"structure_string": "Be2 Al2 H10\n1.0\n0.000000 4.668372 0.095578\n4.317052 0.000000 0.000000\n0.000000 -0.191792 -6.248914\nBe Al H\n2 2 10\ndirect\n-0.002693 0.230334 0.381185 Be\n0.002694 0.730334 0.618814 Be\n0.244215 0.990123 0.001025 Al\n0.755785 0.490123 -0.001026 Al\n0.124943 0.466218 0.516543 H\n0.875057 -0.033781 0.483456 H\n0.748180 0.338969 0.255942 H\n0.251820 0.838968 0.744057 H\n0.237901 0.144290 0.256934 H\n0.762099 0.644290 0.743065 H\n0.056688 0.681564 0.088779 H\n0.943312 0.181564 0.911220 H\n0.552841 0.796501 0.080504 H\n0.447159 0.296501 0.919496 H\n",
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],
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{
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"created_at": "2022-09-04T14:36:43.957218Z",
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"structure_string": "Mn2 Cr2 Si4\n1.0\n4.562257 0.000000 0.000000\n0.000000 4.593507 0.051033\n0.000000 -0.010846 4.587364\nMn Cr Si\n2 2 4\ndirect\n0.363146 0.862244 0.385240 Mn\n0.863147 0.137756 0.614758 Mn\n0.636435 0.632704 0.891238 Cr\n0.136435 0.367296 0.108761 Cr\n0.345651 0.342870 0.591450 Si\n0.845652 0.657130 0.408548 Si\n0.654770 0.149114 0.097292 Si\n0.154769 0.850886 0.902706 Si\n",
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"formula_full": "Mn2 Cr2 Si4",
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}
]
}