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{
"id": "jvasp-98071",
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"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.718891 -0.000000 0.000000\n-0.000000 10.596583 0.000000\n0.000000 0.000000 16.069833\nZn Te Br O\n16 8 16 24\ndirect\n0.401822 0.236824 0.977266 Zn\n0.098178 0.736824 0.022734 Zn\n0.160411 0.491920 0.608867 Zn\n0.901822 0.236824 0.522734 Zn\n0.098178 0.763175 0.477266 Zn\n0.339589 0.508080 0.108867 Zn\n0.160411 0.008080 0.891133 Zn\n0.839589 0.991919 0.108867 Zn\n0.901822 0.263175 0.977266 Zn\n0.839589 0.508080 0.391133 Zn\n0.401822 0.263175 0.522734 Zn\n0.598178 0.763175 0.022734 Zn\n0.660411 0.008080 0.608867 Zn\n0.660411 0.491920 0.891133 Zn\n0.339589 0.991919 0.391133 Zn\n0.598178 0.736824 0.477266 Zn\n0.710018 0.027934 0.904784 Te\n0.210018 0.027934 0.595216 Te\n0.789982 0.527934 0.095216 Te\n0.289982 0.972065 0.095216 Te\n0.710018 0.472066 0.595216 Te\n0.289982 0.527934 0.404784 Te\n0.789982 0.972065 0.404784 Te\n0.210018 0.472066 0.904784 Te\n0.650441 0.914245 0.214307 Br\n0.557832 0.790798 0.630867 Br\n0.057832 0.790798 0.869133 Br\n0.849559 0.085755 0.714307 Br\n0.442168 0.209201 0.369133 Br\n0.849559 0.414245 0.785693 Br\n0.349559 0.085755 0.785693 Br\n0.942168 0.209201 0.130867 Br\n0.650441 0.585754 0.285693 Br\n0.057832 0.709201 0.630867 Br\n0.442168 0.290798 0.130867 Br\n0.150441 0.914245 0.285693 Br\n0.557832 0.709201 0.869133 Br\n0.150441 0.585754 0.214307 Br\n0.942168 0.290798 0.369133 Br\n0.349559 0.414245 0.714307 Br\n0.940854 0.411546 0.577739 O\n0.559145 0.588453 0.077739 O\n0.059145 0.911546 0.077739 O\n0.808660 0.057576 0.511476 O\n0.853544 0.690213 0.054286 O\n0.059145 0.588453 0.422261 O\n0.146455 0.309787 0.945714 O\n0.308660 0.057576 0.988523 O\n0.808660 0.442424 0.988523 O\n0.308660 0.442424 0.511476 O\n0.646455 0.309787 0.554286 O\n0.559145 0.911546 0.422261 O\n0.146455 0.190213 0.554286 O\n0.440855 0.411546 0.922261 O\n0.353544 0.809786 0.054286 O\n0.191340 0.557575 0.011477 O\n0.440855 0.088454 0.577739 O\n0.191340 0.942424 0.488523 O\n0.691340 0.557575 0.488523 O\n0.646455 0.190213 0.945714 O\n0.353544 0.690213 0.445714 O\n0.853544 0.809786 0.445714 O\n0.691340 0.942424 0.011477 O\n0.940854 0.088454 0.922261 O\n",
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{
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"structure_string": "Ca2 Sn4 O8\n1.0\n6.039128 0.000000 -3.170620\n-1.664616 5.805183 -3.170620\n-0.279508 -0.370921 6.804340\nCa Sn O\n2 4 8\ndirect\n0.374999 0.625000 0.749999 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.762579 0.787882 0.525160 O\n0.762724 0.237420 0.974839 O\n0.212117 0.237420 0.974839 O\n0.237420 0.212117 0.474839 O\n0.237419 0.762723 0.474839 O\n0.237277 0.762579 0.025160 O\n0.762580 0.237277 0.525161 O\n0.787882 0.762579 0.025160 O\n",
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{
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"structure_string": "La4 S4\n1.0\n-2.939403 -2.939362 0.000000\n-2.939403 2.939362 -0.000000\n0.000000 -0.000000 -11.768991\nLa S\n4 4\ndirect\n0.252023 0.747976 0.375004 La\n0.747976 0.252023 0.624996 La\n0.247977 0.752022 0.875004 La\n0.752022 0.247977 0.124996 La\n0.751866 0.248133 0.374997 S\n0.248133 0.751866 0.625003 S\n0.748133 0.251866 0.874997 S\n0.251866 0.748133 0.125003 S\n",
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{
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"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
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"created_at": "2022-09-04T14:35:46.726213Z",
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"structure_string": "Ag8 N4 Cl4 O12\n1.0\n5.094440 0.000000 0.000000\n0.000000 6.449112 0.000000\n0.000000 0.000000 12.720976\nAg N Cl O\n8 4 4 12\ndirect\n0.250000 0.259116 0.034142 Ag\n0.750000 0.740884 0.965858 Ag\n0.250000 0.866144 0.752137 Ag\n0.750000 0.240884 0.534142 Ag\n0.750000 0.633855 0.252137 Ag\n0.250000 0.366145 0.747863 Ag\n0.250000 0.759116 0.465858 Ag\n0.750000 0.133855 0.247863 Ag\n0.750000 0.655773 0.645795 N\n0.250000 0.344227 0.354205 N\n0.750000 0.155773 0.854206 N\n0.250000 0.844227 0.145795 N\n0.250000 0.108363 0.588518 Cl\n0.250000 0.608362 0.911482 Cl\n0.750000 0.391637 0.088518 Cl\n0.750000 0.891637 0.411482 Cl\n0.750000 0.310419 0.792470 O\n0.033968 0.424100 0.385257 O\n0.466032 0.924100 0.114743 O\n0.250000 0.189580 0.292470 O\n0.966032 0.075900 0.885257 O\n0.533968 0.575900 0.614743 O\n0.466032 0.424100 0.385257 O\n0.250000 0.689580 0.207530 O\n0.966032 0.575900 0.614743 O\n0.033968 0.924100 0.114743 O\n0.750000 0.810419 0.707530 O\n0.533968 0.075900 0.885257 O\n",
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{
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"structure_string": "B20 Pb8 Cl4 O36\n1.0\n6.605529 0.000000 0.000000\n0.000000 11.403927 0.000000\n0.000000 0.000000 11.428218\nB Pb Cl O\n20 8 4 36\ndirect\n0.811208 0.272647 0.959309 B\n0.201935 0.324628 0.272711 B\n0.979895 0.498653 0.742228 B\n0.852474 0.694710 0.816928 B\n0.479895 -0.001347 0.757772 B\n0.201935 0.675372 0.727289 B\n0.311208 0.772647 0.540692 B\n0.036632 0.721597 0.213025 B\n0.701935 0.175372 0.772712 B\n0.979895 0.501348 0.257772 B\n0.352473 0.194710 0.683072 B\n0.479895 0.001347 0.242228 B\n0.036632 0.278403 0.786975 B\n0.852474 0.305290 0.183072 B\n0.311208 0.227353 0.459308 B\n0.701935 0.824628 0.227289 B\n0.811208 0.727353 0.040692 B\n0.536632 0.221597 0.286975 B\n0.352473 0.805290 0.316928 B\n0.536632 0.778403 0.713025 B\n0.832454 0.739435 0.478775 Pb\n0.000603 0.956863 0.746736 Pb\n0.000603 0.043137 0.253265 Pb\n0.832454 0.260565 0.521225 Pb\n0.332454 0.239435 0.021225 Pb\n0.500603 0.543137 0.246736 Pb\n0.332454 0.760565 0.978775 Pb\n0.500603 0.456863 0.753265 Pb\n0.119345 0.000000 0.000000 Cl\n0.873423 0.000000 0.500000 Cl\n0.373423 0.500000 0.000000 Cl\n0.619345 0.500000 0.500000 Cl\n0.159532 0.548165 0.707999 O\n0.328171 0.933609 0.289195 O\n0.571925 0.777716 0.321080 O\n0.071924 0.722284 0.821080 O\n0.502896 0.792709 0.582930 O\n0.328171 0.066392 0.710805 O\n0.159461 0.258687 0.381380 O\n0.944576 0.381464 0.724961 O\n0.659461 0.241313 0.881380 O\n0.002896 0.292709 0.917071 O\n0.944576 0.618536 0.275039 O\n0.918231 0.821677 0.258220 O\n0.418231 0.678323 0.758220 O\n0.571925 0.222284 0.678920 O\n0.418231 0.321677 0.241780 O\n0.002896 0.707291 0.082930 O\n0.444576 0.118536 0.224961 O\n0.254222 0.266276 0.774586 O\n0.254222 0.733724 0.225414 O\n0.444576 0.881465 0.775039 O\n0.659532 0.951836 0.207999 O\n0.918231 0.178323 0.741780 O\n0.071924 0.277716 0.178920 O\n0.754222 0.766276 0.725414 O\n0.659532 0.048164 0.792001 O\n0.828171 0.566392 0.789196 O\n0.751855 0.718843 0.927634 O\n0.502896 0.207291 0.417070 O\n0.251855 0.218843 0.572367 O\n0.828171 0.433608 0.210805 O\n0.659461 0.758688 0.118620 O\n0.159461 0.741313 0.618620 O\n0.754222 0.233724 0.274586 O\n0.251855 0.781157 0.427634 O\n0.751855 0.281157 0.072367 O\n0.159532 0.451836 0.292001 O\n",
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{
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"structure_string": "Lu1 U4 S5 O4\n1.0\n3.773266 -0.000000 -0.416839\n-0.046049 3.772986 -0.416839\n0.012225 0.012375 17.397057\nLu U S O\n1 4 5 4\ndirect\n0.500000 0.500001 -0.000000 Lu\n0.308199 0.308199 0.616397 U\n0.691803 0.691803 0.383603 U\n0.113044 0.113044 0.226088 U\n0.886958 0.886958 0.773912 U\n0.777168 0.777168 0.554333 S\n0.423213 0.423213 0.846424 S\n0.222834 0.222834 0.445667 S\n0.576789 0.576789 0.153576 S\n0.000000 0.000000 0.000000 S\n0.150659 0.650660 0.301318 O\n0.650660 0.150659 0.301318 O\n0.849343 0.349342 0.698682 O\n0.349342 0.849343 0.698682 O\n",
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{
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"created_at": "2022-09-04T14:36:20.020841Z",
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"structure_string": "Nd12 S8 Cl20\n1.0\n6.563870 0.000000 0.000000\n0.000000 7.016178 -0.962460\n0.000000 0.025772 21.898778\nNd S Cl\n12 8 20\ndirect\n0.044052 0.662713 0.099469 Nd\n0.454880 0.292232 0.404478 Nd\n0.955948 0.337287 0.900531 Nd\n0.456251 0.639115 0.250772 Nd\n0.455948 0.162713 0.099469 Nd\n0.956251 0.860885 0.749228 Nd\n0.043749 0.139114 0.250772 Nd\n0.543749 0.360885 0.749228 Nd\n0.045120 0.792232 0.404478 Nd\n0.545120 0.707768 0.595522 Nd\n0.544052 0.837287 0.900531 Nd\n0.954880 0.207767 0.595522 Nd\n0.814481 0.536624 0.667848 S\n0.185378 0.400273 0.173751 S\n0.185519 0.463376 0.332152 S\n0.314622 0.900273 0.173751 S\n0.685519 0.036624 0.667848 S\n0.814621 0.599727 0.826249 S\n0.685378 0.099727 0.826249 S\n0.314481 0.963376 0.332152 S\n0.864446 0.770196 0.244604 Cl\n0.734160 0.402000 0.510761 Cl\n0.667481 0.616637 0.373655 Cl\n0.822975 0.662831 0.981627 Cl\n0.677025 0.162831 0.981627 Cl\n0.322975 0.837169 0.018373 Cl\n0.635554 0.270196 0.244604 Cl\n0.832519 0.116637 0.373655 Cl\n0.332519 0.383363 0.626345 Cl\n0.350932 0.477345 0.881812 Cl\n0.850932 0.022655 0.118188 Cl\n0.177025 0.337169 0.018373 Cl\n0.649068 0.522655 0.118188 Cl\n0.765840 0.902000 0.510761 Cl\n0.135554 0.229803 0.755396 Cl\n0.234160 0.098000 0.489239 Cl\n0.265840 0.598000 0.489239 Cl\n0.167481 0.883363 0.626346 Cl\n0.364446 0.729804 0.755396 Cl\n0.149068 0.977345 0.881812 Cl\n",
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{
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