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{
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{
"id": "mp-1249890",
"created_at": "2022-09-04T14:41:36.882483Z",
"structure_string": "Li2 Al2 Si4 H4 O14\n1.0\n6.777139 1.380636 -0.027871\n1.346853 6.051518 3.162078\n0.059795 0.052432 7.657909\nLi Al Si H O\n2 2 4 4 14\ndirect\n0.163356 0.988316 0.615847 Li\n0.572398 0.898671 0.640055 Li\n0.958136 0.575953 0.753105 Al\n0.452057 0.015869 0.018065 Al\n0.524491 0.469776 0.877093 Si\n0.822950 0.989455 0.882868 Si\n0.290942 0.297693 0.226606 Si\n0.948429 0.598404 0.324538 Si\n0.406990 0.865293 0.230852 H\n0.293336 0.623267 0.585915 H\n0.998917 0.052191 0.902709 H\n0.752982 0.399649 0.324495 H\n0.717266 0.532986 0.777525 O\n0.878555 0.370814 0.406469 O\n0.166865 0.264660 0.904020 O\n0.967426 0.662571 0.496401 O\n0.862330 0.863794 0.744532 O\n0.584702 0.210924 0.821553 O\n0.422619 0.893079 0.855718 O\n0.171364 0.540076 0.241723 O\n0.290954 0.635364 0.708315 O\n0.464955 0.640524 0.997580 O\n0.490314 0.262942 0.103617 O\n0.342548 0.076758 0.440409 O\n0.090232 0.359878 0.046449 O\n0.778187 0.820593 0.111742 O\n",
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"formula_full": "Li2 Al2 Si4 H4 O14",
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"spacegroup": 1
},
{
"id": "mp-1037022",
"created_at": "2022-09-04T14:48:10.387782Z",
"structure_string": "Na1 Mg30 Co1 O32\n1.0\n8.513283 0.000000 0.000000\n0.000000 8.513283 0.000000\n0.000000 0.000000 8.516142\nNa Mg Co O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248858 0.252395 Mg\n0.000000 0.248858 0.747605 Mg\n0.000000 0.751142 0.252395 Mg\n0.000000 0.751142 0.747605 Mg\n0.500000 0.249902 0.251293 Mg\n0.500000 0.249902 0.748707 Mg\n0.500000 0.750098 0.251293 Mg\n0.500000 0.750098 0.748707 Mg\n0.248858 0.000000 0.252395 Mg\n0.248858 0.000000 0.747605 Mg\n0.249902 0.500000 0.251293 Mg\n0.249902 0.500000 0.748707 Mg\n0.751142 0.000000 0.252395 Mg\n0.751142 0.000000 0.747605 Mg\n0.750098 0.500000 0.251293 Mg\n0.750098 0.500000 0.748707 Mg\n0.249337 0.249337 0.000000 Mg\n0.248800 0.248800 0.500000 Mg\n0.249337 0.750663 0.000000 Mg\n0.248800 0.751200 0.500000 Mg\n0.750663 0.249337 0.000000 Mg\n0.751200 0.248800 0.500000 Mg\n0.750663 0.750663 0.000000 Mg\n0.751200 0.751200 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n0.238435 0.000000 0.000000 O\n0.261809 0.000000 0.500000 O\n0.247858 0.500000 0.000000 O\n0.251910 0.500000 0.500000 O\n0.761565 0.000000 0.000000 O\n0.738191 0.000000 0.500000 O\n0.752142 0.500000 0.000000 O\n0.748090 0.500000 0.500000 O\n0.249627 0.249627 0.249030 O\n0.249627 0.249627 0.750970 O\n0.249627 0.750373 0.249030 O\n0.249627 0.750373 0.750970 O\n0.750373 0.249627 0.249030 O\n0.750373 0.249627 0.750970 O\n0.750373 0.750373 0.249030 O\n0.750373 0.750373 0.750970 O\n0.000000 0.000000 0.229256 O\n0.000000 0.000000 0.770744 O\n0.000000 0.500000 0.244047 O\n0.000000 0.500000 0.755953 O\n0.500000 0.000000 0.244047 O\n0.500000 0.000000 0.755953 O\n0.500000 0.500000 0.248193 O\n0.500000 0.500000 0.751807 O\n0.000000 0.238435 0.000000 O\n0.000000 0.261809 0.500000 O\n0.000000 0.761565 0.000000 O\n0.000000 0.738191 0.500000 O\n0.500000 0.247858 0.000000 O\n0.500000 0.251910 0.500000 O\n0.500000 0.752142 0.000000 O\n0.500000 0.748090 0.500000 O\n",
"nsites": 64,
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"elements": [
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"Mg",
"Co",
"O"
],
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"density": 3.559504569742406,
"density_atomic": 0.10369144784763935,
"volume": 617.2158006129821,
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"formula_full": "Na1 Mg30 Co1 O32",
"formula_reduced": "NaMg30CoO32",
"formula_anonymous": "ABC30D32",
"energy": -403.40953482,
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"updated_at": "2021-11-28T01:38:31.275000Z",
"spacegroup": 123
},
{
"id": "mp-753677",
"created_at": "2022-09-04T14:41:59.995521Z",
"structure_string": "Li6 Bi2 S6\n1.0\n4.175314 -5.463033 0.000000\n4.175314 5.463033 0.000000\n-2.972585 0.000000 6.200138\nLi Bi S\n6 2 6\ndirect\n0.098317 0.474589 0.696242 Li\n0.196242 0.974589 0.598317 Li\n0.974589 0.598317 0.196242 Li\n0.696242 0.098317 0.474589 Li\n0.474589 0.696242 0.098317 Li\n0.598317 0.196242 0.974589 Li\n0.515093 0.515093 0.515093 Bi\n0.015093 0.015093 0.015093 Bi\n0.280439 0.293133 0.926107 S\n0.426107 0.793133 0.780439 S\n0.780439 0.426107 0.793133 S\n0.293133 0.926107 0.280439 S\n0.793133 0.780439 0.426107 S\n0.926107 0.280439 0.293133 S\n",
"nsites": 14,
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"elements": [
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"Bi",
"S"
],
"chemical_system": "Bi-Li-S",
"density": 3.8277207323247495,
"density_atomic": 0.04949641204863924,
"volume": 282.848784801663,
"volume_molar": 12.166822827646879,
"formula_full": "Li6 Bi2 S6",
"formula_reduced": "Li3BiS3",
"formula_anonymous": "AB3C3",
"energy": -60.28705071000001,
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"updated_at": "2021-11-28T01:35:39.867000Z",
"spacegroup": 161
},
{
"id": "mp-570778",
"created_at": "2022-09-04T14:42:41.956377Z",
"structure_string": "Cl16\n1.0\n11.765809 0.000000 0.000000\n0.000000 11.765809 0.000000\n0.000000 0.000000 8.203525\nCl\n16\ndirect\n0.344483 0.606098 0.639232 Cl\n0.844483 0.893902 0.360768 Cl\n0.106098 0.844483 0.639232 Cl\n0.893902 0.155517 0.639232 Cl\n0.844483 0.106098 0.860768 Cl\n0.344483 0.393902 0.139232 Cl\n0.155517 0.893902 0.860768 Cl\n0.655517 0.606098 0.139232 Cl\n0.893902 0.844483 0.139232 Cl\n0.655517 0.393902 0.639232 Cl\n0.393902 0.655517 0.860768 Cl\n0.393902 0.344483 0.360768 Cl\n0.606098 0.655517 0.360768 Cl\n0.606098 0.344483 0.860768 Cl\n0.155517 0.106098 0.360768 Cl\n0.106098 0.155517 0.139232 Cl\n",
"nsites": 16,
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"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 0.829426633679966,
"density_atomic": 0.014088861139649257,
"volume": 1135.6489244522656,
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"formula_full": "Cl16",
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"updated_at": "2021-11-28T01:35:51.876000Z",
"spacegroup": 138
},
{
"id": "mp-1046434",
"created_at": "2022-09-04T14:43:16.054693Z",
"structure_string": "Sr2 Ca2 V2 P4 O16\n1.0\n5.638110 -0.003218 -1.102892\n-1.494744 6.372768 -2.428067\n-0.000193 0.073701 9.637301\nSr Ca V P O\n2 2 2 4 16\ndirect\n0.258833 0.806999 0.054667 Sr\n0.741167 0.193001 0.945333 Sr\n0.999620 0.418489 0.661326 Ca\n0.000380 0.581511 0.338674 Ca\n0.652915 0.852415 0.563630 V\n0.347084 0.147585 0.436370 V\n0.390108 0.415305 0.223170 P\n0.609892 0.584695 0.776830 P\n0.838234 0.029965 0.297701 P\n0.161766 0.970035 0.702299 P\n0.836706 0.554856 0.879647 O\n0.623147 0.450120 0.169073 O\n0.664498 0.805314 0.771306 O\n0.968694 0.109435 0.702190 O\n0.376853 0.549880 0.830927 O\n0.008060 0.741974 0.594009 O\n0.991940 0.258026 0.405991 O\n0.272716 0.993063 0.865211 O\n0.335502 0.194686 0.228694 O\n0.727284 0.006937 0.134789 O\n0.163294 0.445144 0.120353 O\n0.416337 0.581055 0.386538 O\n0.583663 0.418945 0.613462 O\n0.636823 0.968907 0.374391 O\n0.031306 0.890565 0.297810 O\n0.363177 0.031093 0.625609 O\n",
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],
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{
"id": "mp-686482",
"created_at": "2022-09-04T14:42:52.401342Z",
"structure_string": "K16 Y8 Ti8 P24 O96\n1.0\n10.299392 0.000000 0.000000\n-0.010633 10.354277 0.000000\n-0.019909 -0.003962 20.600979\nK Y Ti P O\n16 8 8 24 96\ndirect\n0.070875 0.923776 0.030905 K\n0.072630 0.930431 0.534333 K\n0.703784 0.799155 0.398052 K\n0.704230 0.799992 0.897419 K\n0.300739 0.699449 0.147055 K\n0.296521 0.704562 0.646287 K\n0.928416 0.574681 0.281279 K\n0.932029 0.575181 0.780955 K\n0.427776 0.439842 0.464318 K\n0.434253 0.434499 0.966042 K\n0.800798 0.292250 0.101260 K\n0.797029 0.294660 0.600488 K\n0.199526 0.207420 0.351851 K\n0.199488 0.203655 0.850394 K\n0.560862 0.067429 0.715123 K\n0.564857 0.065989 0.214774 K\n0.914388 0.918691 0.206424 Y\n0.915321 0.916190 0.708786 Y\n0.349657 0.855185 0.325898 Y\n0.347655 0.855115 0.824369 Y\n0.654088 0.643443 0.074846 Y\n0.083310 0.583139 0.455469 Y\n0.086982 0.582094 0.956596 Y\n0.420930 0.088654 0.538645 Y\n0.646680 0.641422 0.572307 Ti\n0.586822 0.415463 0.290281 Ti\n0.584357 0.415142 0.792031 Ti\n0.145395 0.350956 0.178413 Ti\n0.139276 0.353300 0.676875 Ti\n0.850842 0.146422 0.428633 Ti\n0.855679 0.148505 0.928046 Ti\n0.414039 0.086402 0.041460 Ti\n0.726230 0.972782 0.056189 P\n0.737450 0.953453 0.558812 P\n0.033112 0.890856 0.370838 P\n0.030927 0.885218 0.873019 P\n0.385673 0.758084 0.484251 P\n0.379104 0.779025 0.984764 P\n0.623941 0.722572 0.235008 P\n0.624602 0.719132 0.728655 P\n0.970539 0.612000 0.121335 P\n0.959224 0.616831 0.617848 P\n0.273665 0.527363 0.306217 P\n0.271736 0.527824 0.805901 P\n0.765644 0.456247 0.930519 P\n0.754997 0.457210 0.435634 P\n0.457048 0.364428 0.136206 P\n0.460571 0.382099 0.637814 P\n0.128616 0.259233 0.021815 P\n0.115905 0.261261 0.521030 P\n0.873093 0.243249 0.273145 P\n0.869965 0.240051 0.771819 P\n0.547385 0.140553 0.379846 P\n0.544440 0.135322 0.886533 P\n0.235718 0.043054 0.180915 P\n0.230309 0.049390 0.684974 P\n0.100627 0.992147 0.163302 O\n0.095713 0.997826 0.667233 O\n0.940856 0.999357 0.397192 O\n0.937222 0.993327 0.899622 O\n0.794738 0.991135 0.121813 O\n0.832571 0.977658 0.614624 O\n0.298992 0.965940 0.236297 O\n0.284919 0.984294 0.746055 O\n0.173351 0.942156 0.375102 O\n0.171230 0.935873 0.878303 O\n0.364769 0.926432 0.002746 O\n0.352829 0.895805 0.505233 O\n0.994113 0.859168 0.301072 O\n0.994514 0.853314 0.802880 O\n0.757164 0.787201 0.242599 O\n0.735757 0.832868 0.031826 O\n0.751144 0.790101 0.744766 O\n0.734863 0.805832 0.541245 O\n0.530656 0.788942 0.281768 O\n0.511029 0.787808 0.761809 O\n0.434993 0.753598 0.413683 O\n0.432277 0.768737 0.914911 O\n0.012574 0.772396 0.414653 O\n0.006528 0.767107 0.916182 O\n0.983899 0.729103 0.664666 O\n0.991998 0.733066 0.163009 O\n0.572421 0.730728 0.165068 O\n0.597524 0.721949 0.653910 O\n0.470229 0.712379 0.032720 O\n0.495935 0.704129 0.529872 O\n0.264651 0.667988 0.282760 O\n0.269857 0.667102 0.494723 O\n0.261974 0.668437 0.782684 O\n0.244942 0.715628 0.991808 O\n0.010929 0.649513 0.550427 O\n0.006066 0.640148 0.050728 O\n0.639632 0.575972 0.253893 O\n0.638730 0.577144 0.752703 O\n0.830935 0.558606 0.126623 O\n0.812399 0.578312 0.614206 O\n0.694341 0.535472 0.493390 O\n0.701489 0.532184 0.985881 O\n0.201304 0.507310 0.370561 O\n0.201987 0.506870 0.870767 O\n0.066049 0.506915 0.149228 O\n0.036034 0.499326 0.647057 O\n0.900477 0.507440 0.912995 O\n0.888655 0.512106 0.417570 O\n0.417550 0.484262 0.314260 O\n0.416480 0.486808 0.814958 O\n0.535364 0.468785 0.100978 O\n0.541013 0.492111 0.605182 O\n0.673753 0.473620 0.870949 O\n0.660860 0.473493 0.377012 O\n0.207467 0.434280 0.256547 O\n0.204164 0.438444 0.755040 O\n0.311092 0.405962 0.137866 O\n0.313664 0.419361 0.636934 O\n0.148673 0.395784 0.495676 O\n0.163754 0.393045 0.995612 O\n0.511680 0.342334 0.205836 O\n0.510229 0.358010 0.708597 O\n0.756451 0.338704 0.266618 O\n0.750005 0.331009 0.765223 O\n0.763903 0.312856 0.456861 O\n0.773839 0.311875 0.952393 O\n0.984912 0.302244 0.230930 O\n0.981210 0.301164 0.730358 O\n0.083730 0.265458 0.094050 O\n0.083124 0.266078 0.595139 O\n0.471292 0.237982 0.095850 O\n0.486874 0.258971 0.598619 O\n0.536067 0.255380 0.331880 O\n0.529010 0.260050 0.844534 O\n0.916758 0.236952 0.345707 O\n0.916220 0.232755 0.843941 O\n0.994099 0.205030 0.484880 O\n0.018582 0.197173 0.979751 O\n0.250106 0.170157 0.014849 O\n0.228745 0.168971 0.507426 O\n0.227370 0.187468 0.202959 O\n0.222864 0.197723 0.701814 O\n0.495727 0.181032 0.446597 O\n0.490069 0.161121 0.955838 O\n0.835378 0.110207 0.246321 O\n0.832898 0.106831 0.745112 O\n0.692600 0.097425 0.383202 O\n0.690942 0.094617 0.888275 O\n0.793809 0.066487 0.007424 O\n0.788182 0.033145 0.499373 O\n0.327048 0.026538 0.121134 O\n0.324664 0.026493 0.629069 O\n0.468043 0.029585 0.350669 O\n0.470028 0.026984 0.852204 O\n0.582121 0.015581 0.063583 O\n0.602576 0.002476 0.577107 O\n",
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"formula_full": "K16 Y8 Ti8 P24 O96",
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},
{
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"structure_string": "Cs4 Br8 F28\n1.0\n7.925172 0.000000 0.000000\n0.000000 8.336944 0.000000\n-7.792556 0.000000 12.346371\nCs Br F\n4 8 28\ndirect\n0.878563 0.918225 0.309163 Cs\n0.121437 0.418225 0.190837 Cs\n0.121437 0.081775 0.690837 Cs\n0.878563 0.581775 0.809163 Cs\n0.240162 0.922693 0.120694 Br\n0.759838 0.422693 0.379306 Br\n0.759838 0.077307 0.879306 Br\n0.240162 0.577307 0.620694 Br\n0.517734 0.722643 0.983004 Br\n0.482266 0.222643 0.516996 Br\n0.482266 0.277357 0.016996 Br\n0.517734 0.777357 0.483004 Br\n0.383160 0.108967 0.198011 F\n0.616840 0.608967 0.301989 F\n0.616840 0.891033 0.801989 F\n0.383160 0.391033 0.698011 F\n0.087702 0.735002 0.045118 F\n0.912298 0.235002 0.454882 F\n0.912298 0.264998 0.954882 F\n0.087702 0.764998 0.545118 F\n0.051560 0.972825 0.153326 F\n0.948440 0.472825 0.346674 F\n0.948440 0.027175 0.846674 F\n0.051560 0.527175 0.653326 F\n0.461834 0.878372 0.081984 F\n0.538166 0.378372 0.418016 F\n0.538166 0.121628 0.918016 F\n0.461834 0.621628 0.581984 F\n0.274547 0.774824 0.850373 F\n0.725453 0.274824 0.649627 F\n0.725453 0.225176 0.149627 F\n0.274547 0.725176 0.350373 F\n0.582839 0.589914 0.906329 F\n0.417161 0.089914 0.593671 F\n0.417161 0.410086 0.093671 F\n0.582839 0.910086 0.406329 F\n0.762853 0.660618 0.110106 F\n0.237147 0.160618 0.389894 F\n0.237147 0.339382 0.889894 F\n0.762853 0.839382 0.610106 F\n",
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{
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"formula_full": "Na6 Mn1 Cl8",
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{
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"structure_string": "Sb2 P2 O10\n1.0\n4.091443 3.450171 0.000000\n-4.091443 3.450171 0.000000\n0.000000 3.160407 6.405806\nSb P O\n2 2 10\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.331863 0.668137 0.250000 P\n0.668137 0.331863 0.750000 P\n0.625380 0.740824 0.097471 O\n0.259176 0.374620 0.402529 O\n0.374620 0.259176 0.902529 O\n0.740824 0.625380 0.597471 O\n0.093561 0.906439 0.750000 O\n0.906439 0.093561 0.250000 O\n0.314186 0.866612 0.372325 O\n0.133388 0.685814 0.127675 O\n0.685814 0.133388 0.627675 O\n0.866612 0.314186 0.872325 O\n",
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{
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"structure_string": "K4 Pt2 C8 N8 Cl4\n1.0\n9.341132 0.000000 0.000000\n0.000000 7.213000 0.000000\n0.000000 2.462054 8.308157\nK Pt C N Cl\n4 2 8 8 4\ndirect\n0.778699 0.488384 0.624065 K\n0.278699 0.511616 0.875935 K\n0.221301 0.511616 0.375935 K\n0.721301 0.488384 0.124065 K\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.960031 0.798559 0.884212 C\n0.460031 0.201441 0.615788 C\n0.039969 0.201441 0.115788 C\n0.539969 0.798559 0.384212 C\n0.950091 0.807054 0.211983 C\n0.450091 0.192946 0.288017 C\n0.049909 0.192946 0.788017 C\n0.549909 0.807054 0.711983 C\n0.938314 0.674391 0.825046 N\n0.438314 0.325609 0.674954 N\n0.061686 0.325609 0.174954 N\n0.561686 0.674391 0.325046 N\n0.923320 0.686071 0.330624 N\n0.423320 0.313929 0.169376 N\n0.076680 0.313929 0.669376 N\n0.576680 0.686071 0.830624 N\n0.240602 0.890928 0.035360 Cl\n0.740602 0.109072 0.464640 Cl\n0.759398 0.109072 0.964640 Cl\n0.259398 0.890928 0.535360 Cl\n",
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{
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"structure_string": "Na8 Ca4 V4 P8 O36\n1.0\n6.655405 0.000000 0.000000\n0.000000 10.179621 0.000000\n0.000000 0.000000 10.677299\nNa Ca V P O\n8 4 4 8 36\ndirect\n0.503010 0.133822 0.285953 Na\n0.003010 0.866178 0.714047 Na\n0.996990 0.133822 0.285953 Na\n0.996990 0.366178 0.785953 Na\n0.003010 0.633822 0.214047 Na\n0.503010 0.366178 0.785953 Na\n0.496990 0.633822 0.214047 Na\n0.496990 0.866178 0.714047 Na\n0.250000 0.912440 0.060462 Ca\n0.750000 0.087560 0.939538 Ca\n0.750000 0.412440 0.439538 Ca\n0.250000 0.587560 0.560462 Ca\n0.750000 0.691514 0.966745 V\n0.250000 0.191514 0.533255 V\n0.250000 0.308486 0.033255 V\n0.750000 0.808486 0.466745 V\n0.250000 0.635774 0.909859 P\n0.750000 0.916845 0.177773 P\n0.750000 0.364226 0.090141 P\n0.250000 0.864226 0.409859 P\n0.250000 0.416845 0.322227 P\n0.250000 0.083155 0.822227 P\n0.750000 0.583155 0.677773 P\n0.750000 0.135774 0.590141 P\n0.250000 0.016287 0.409141 O\n0.434449 0.690938 0.987147 O\n0.565551 0.190938 0.512853 O\n0.565551 0.309062 0.012853 O\n0.934449 0.309062 0.012853 O\n0.935273 0.513131 0.623378 O\n0.750000 0.731046 0.643318 O\n0.750000 0.192101 0.724932 O\n0.250000 0.807899 0.275068 O\n0.564727 0.986869 0.123378 O\n0.250000 0.434572 0.176955 O\n0.750000 0.983713 0.590859 O\n0.064727 0.486869 0.376622 O\n0.750000 0.307899 0.224932 O\n0.750000 0.768954 0.143318 O\n0.935273 0.986869 0.123378 O\n0.750000 0.565428 0.823045 O\n0.250000 0.483713 0.909141 O\n0.250000 0.167225 0.111211 O\n0.064727 0.013131 0.876622 O\n0.250000 0.332775 0.611211 O\n0.065551 0.690938 0.987147 O\n0.934449 0.190938 0.512853 O\n0.435273 0.013131 0.876622 O\n0.250000 0.268954 0.356682 O\n0.564727 0.513131 0.623378 O\n0.750000 0.667225 0.388789 O\n0.250000 0.065428 0.676955 O\n0.750000 0.832775 0.888789 O\n0.250000 0.692101 0.775068 O\n0.434449 0.809062 0.487147 O\n0.250000 0.231046 0.856682 O\n0.435273 0.486869 0.376622 O\n0.750000 0.516287 0.090859 O\n0.065551 0.809062 0.487147 O\n0.750000 0.934572 0.323045 O\n",
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{
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"structure_string": "Ca6 Sn6 As8 O32\n1.0\n5.539721 0.000000 0.000000\n0.000000 9.817686 0.000000\n0.000000 8.891239 15.751575\nCa Sn As O\n6 6 8 32\ndirect\n0.933299 0.184920 0.744044 Ca\n0.433299 0.815080 0.755956 Ca\n0.066701 0.815080 0.255956 Ca\n0.566701 0.184920 0.244044 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.980682 0.551638 0.134595 Sn\n0.019318 0.448362 0.865405 Sn\n0.480682 0.448362 0.365405 Sn\n0.519318 0.551638 0.634595 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.470109 0.253538 0.857247 As\n0.972486 0.773816 0.887812 As\n0.472486 0.226184 0.612188 As\n0.527514 0.773816 0.387812 As\n0.529891 0.746462 0.142753 As\n0.027514 0.226184 0.112188 As\n0.029891 0.253538 0.357247 As\n0.970109 0.746462 0.642753 As\n0.110761 0.671217 0.741139 O\n0.465665 0.213765 0.521830 O\n0.086666 0.932912 0.800277 O\n0.915326 0.587794 0.624790 O\n0.913334 0.067088 0.199723 O\n0.389239 0.671217 0.241139 O\n0.586666 0.067088 0.699723 O\n0.808144 0.715580 0.371356 O\n0.845437 0.112562 0.425573 O\n0.889239 0.328783 0.258861 O\n0.584674 0.587794 0.124790 O\n0.191856 0.284420 0.628644 O\n0.168978 0.619880 0.905088 O\n0.154563 0.887438 0.574427 O\n0.823723 0.805660 0.146196 O\n0.323723 0.194340 0.353804 O\n0.668978 0.380120 0.594912 O\n0.413334 0.932912 0.300277 O\n0.345437 0.887438 0.074427 O\n0.308144 0.284420 0.128644 O\n0.676277 0.805660 0.646196 O\n0.176277 0.194340 0.853804 O\n0.534335 0.786235 0.478170 O\n0.965665 0.786235 0.978170 O\n0.831022 0.380120 0.094912 O\n0.610761 0.328783 0.758861 O\n0.084674 0.412206 0.375210 O\n0.654563 0.112562 0.925573 O\n0.034335 0.213765 0.021830 O\n0.691856 0.715580 0.871356 O\n0.331022 0.619880 0.405088 O\n0.415326 0.412206 0.875210 O\n",
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}