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{
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"structure_string": "K6 B2 As4\n1.0\n6.323052 0.008614 1.773704\n-0.117375 6.321968 1.773704\n-0.001563 -0.001595 9.189829\nK B As\n6 2 4\ndirect\n0.746516 0.852739 0.981569 K\n0.852738 0.746517 0.481570 K\n0.351843 0.648157 0.750000 K\n0.648156 0.351843 0.250000 K\n0.147261 0.253483 0.518430 K\n0.253483 0.147261 0.018430 K\n0.285136 0.714863 0.250000 B\n0.714863 0.285137 0.750000 B\n0.413233 0.855184 0.356723 As\n0.144816 0.586766 0.143277 As\n0.855183 0.413234 0.856723 As\n0.586766 0.144817 0.643277 As\n",
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{
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.405160 -0.000001 -0.000001\n-1.702580 2.948960 -0.000005\n-0.000016 -0.000089 36.586390\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.666632 0.333257 0.042747 Te\n0.666645 0.333293 0.419420 Te\n0.666672 0.333348 0.145258 Te\n0.666669 0.333334 0.522655 Te\n0.333319 0.666637 0.093968 Mo\n0.666667 0.333334 0.282097 Mo\n0.333324 0.666649 0.471014 W\n0.666691 0.333383 0.655812 W\n0.333347 0.666688 0.327184 Se\n0.333320 0.666645 0.237023 Se\n0.333319 0.666642 0.697001 S\n0.333394 0.666790 0.614570 S\n",
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"structure_string": "As1 Br5\n1.0\n6.004367 0.000000 0.000000\n0.000000 7.901222 0.000000\n0.000000 0.000000 7.743883\nAs Br\n1 5\ndirect\n0.815214 0.000000 0.500000 As\n0.718829 0.000000 0.183595 Br\n0.743364 0.684691 0.500000 Br\n0.743364 0.315309 0.500000 Br\n0.204628 0.000000 0.500000 Br\n0.718829 0.000000 0.816405 Br\n",
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{
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"created_at": "2022-09-04T14:38:10.046929Z",
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"structure_string": "Pb4 I4 Cl4\n1.0\n4.644140 -0.000000 0.000000\n0.000000 8.182603 0.000000\n0.000000 0.000000 9.666920\nPb I Cl\n4 4 4\ndirect\n0.250000 0.717527 0.616399 Pb\n0.750000 0.282473 0.383601 Pb\n0.250000 0.217527 0.883601 Pb\n0.750000 0.782473 0.116399 Pb\n0.250000 0.467996 0.169970 I\n0.750000 0.032003 0.669970 I\n0.250000 0.967996 0.330030 I\n0.750000 0.532003 0.830030 I\n0.750000 0.639852 0.438591 Cl\n0.250000 0.860147 0.938591 Cl\n0.750000 0.139852 0.061409 Cl\n0.250000 0.360147 0.561409 Cl\n",
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{
"id": "jvasp-10303",
"created_at": "2022-09-04T14:37:07.186735Z",
"updated_at": "2022-09-04T14:37:07.186759Z",
"structure_string": "Rb4 Sn2 As4\n1.0\n6.411261 -0.000000 -2.810181\n-1.409085 6.580193 -3.214745\n-0.008717 0.021606 8.698662\nRb Sn As\n4 2 4\ndirect\n0.855286 0.014692 0.710571 Rb\n0.644713 0.304119 0.289428 Rb\n0.144713 0.985308 0.289428 Rb\n0.355285 0.695881 0.710570 Rb\n0.250000 0.500000 -0.000001 Sn\n0.749999 0.500000 -0.000000 Sn\n0.394478 0.210662 0.788955 As\n0.105521 0.421705 0.211044 As\n0.605521 0.789338 0.211044 As\n0.894477 0.578295 0.788955 As\n",
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{
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"created_at": "2022-09-04T14:36:43.818300Z",
"updated_at": "2022-09-04T14:36:43.818317Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n4.901474 -0.021617 -0.528824\n-0.650597 6.813488 -2.101729\n-0.021207 -0.200466 11.070327\nSn H C O\n1 24 13 4\ndirect\n0.417155 0.594667 0.888376 Sn\n0.968391 0.806127 0.539257 H\n0.309699 0.539322 0.635295 H\n0.173618 0.763429 0.724450 H\n0.475477 0.685977 0.144143 H\n0.121630 0.602999 0.079237 H\n0.884413 0.866861 0.398214 H\n0.999245 0.525169 0.705517 H\n0.524252 0.079229 0.515982 H\n0.874183 0.166936 0.574524 H\n0.875544 0.037167 0.750678 H\n0.538103 0.910204 0.693064 H\n0.367469 0.425476 0.071372 H\n0.006656 0.181766 0.366616 H\n0.705045 0.095811 0.255569 H\n0.419750 0.710681 0.511901 H\n0.439122 0.690946 0.351379 H\n0.014073 0.510577 0.330296 H\n0.147383 0.992034 0.163694 H\n0.711472 0.428721 0.220663 H\n0.086382 0.116550 0.972431 H\n0.826200 0.259332 0.042080 H\n0.764246 0.468211 0.506036 H\n0.464867 0.367793 0.396206 H\n0.258259 0.242292 0.193923 H\n0.560436 0.683184 0.439208 C\n0.648440 0.474773 0.416642 C\n0.822780 0.410623 0.307428 C\n0.930856 0.127066 0.037199 C\n0.073837 0.136387 0.170695 C\n0.895321 0.197606 0.278852 C\n0.725339 0.948423 0.982487 C\n0.715140 0.046132 0.563987 C\n0.799792 0.848429 0.482384 C\n0.547997 0.220890 0.772038 C\n0.197882 0.609066 0.715050 C\n0.334874 0.574125 0.069345 C\n0.673702 0.040921 0.699356 C\n0.709878 0.385333 0.822979 O\n0.814412 0.775604 0.938932 O\n0.469803 0.957884 0.979684 O\n0.295643 0.221102 0.780586 O\n",
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{
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"created_at": "2022-09-04T14:38:43.650839Z",
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"structure_string": "Ca6 Fe4 Br4 O10\n1.0\n5.303862 0.000025 1.112485\n-0.000019 5.417853 -0.000021\n0.082675 0.000050 12.800695\nCa Fe Br O\n6 4 4 10\ndirect\n0.499974 -0.000013 0.000002 Ca\n0.000027 0.500022 0.000002 Ca\n0.138804 0.499997 0.722243 Ca\n0.638810 0.000002 0.722243 Ca\n0.361194 0.000003 0.277758 Ca\n0.861188 0.499998 0.277758 Ca\n0.425175 0.500004 0.149742 Fe\n0.074823 -0.000004 0.850259 Fe\n0.925189 -0.000003 0.149743 Fe\n0.574811 0.500003 0.850259 Fe\n0.695222 0.499995 0.609466 Br\n0.195204 0.000004 0.609467 Br\n0.804780 0.000005 0.390532 Br\n0.304798 0.499995 0.390532 Br\n0.499908 0.500062 -0.000000 O\n0.000089 0.999935 0.000002 O\n0.668541 0.250000 0.163006 O\n0.168516 0.749998 0.163057 O\n0.831456 0.250001 0.836994 O\n0.331483 0.750000 0.836943 O\n0.168527 0.250000 0.163036 O\n0.668530 0.750000 0.163027 O\n0.331472 0.249999 0.836964 O\n0.831467 0.749998 0.836974 O\n",
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{
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"structure_string": "Rb8 As1 O3\n1.0\n7.161716 -0.000000 0.000000\n0.000000 7.161716 0.000000\n-0.000000 -0.000000 7.161716\nRb As O\n8 1 3\ndirect\n0.265279 0.265279 0.265279 Rb\n0.734722 0.734722 0.265279 Rb\n0.734722 0.265279 0.734722 Rb\n0.265279 0.734722 0.734722 Rb\n0.265279 0.265279 0.734722 Rb\n0.734722 0.734722 0.734722 Rb\n0.734722 0.265279 0.265279 Rb\n0.265279 0.734722 0.265279 Rb\n0.000000 0.000000 0.000000 As\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "K2 Na1 Ce1 Br6\n1.0\n6.961525 -0.000000 4.019238\n2.320508 6.563388 4.019238\n-0.000000 -0.000000 8.038476\nK Na Ce Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747482 0.252517 0.252518 Br\n0.252517 0.252517 0.747483 Br\n0.252517 0.747483 0.747483 Br\n0.252517 0.747483 0.252517 Br\n0.747482 0.252517 0.747484 Br\n0.747483 0.747483 0.252518 Br\n",
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{
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"created_at": "2022-09-04T14:36:21.033199Z",
"updated_at": "2022-09-04T14:36:21.033224Z",
"structure_string": "Mn4 Fe4 Bi4 O20\n1.0\n5.705788 0.000000 0.000000\n0.000000 7.490059 -0.000000\n0.000000 -0.000000 8.593952\nMn Fe Bi O\n4 4 4 20\ndirect\n0.500000 0.902478 0.148289 Mn\n0.500000 0.597523 0.648289 Mn\n0.500000 0.402478 0.351711 Mn\n0.500000 0.097523 0.851711 Mn\n0.735426 0.500000 0.000000 Fe\n0.264574 0.500000 0.000000 Fe\n0.735426 0.000000 0.500000 Fe\n0.264574 0.000000 0.500000 Fe\n0.000000 0.652294 0.330419 Bi\n0.000000 0.152294 0.169581 Bi\n0.000000 0.847706 0.830419 Bi\n0.000000 0.347706 0.669581 Bi\n0.000000 0.653362 0.052533 O\n0.718709 0.500000 0.500000 O\n0.500000 0.155779 0.431271 O\n0.500000 0.844221 0.568729 O\n0.281291 0.000000 0.000000 O\n0.256218 0.605559 0.796174 O\n0.743783 0.894441 0.296174 O\n0.743783 0.394441 0.203826 O\n0.256218 0.105559 0.703825 O\n0.718709 0.000000 0.000000 O\n0.281291 0.500000 0.500000 O\n0.500000 0.344221 0.931271 O\n0.743783 0.105559 0.703825 O\n0.743783 0.605559 0.796174 O\n0.256218 0.394441 0.203826 O\n0.256218 0.894441 0.296174 O\n0.000000 0.153362 0.447467 O\n0.500000 0.655779 0.068729 O\n0.000000 0.846638 0.552533 O\n0.000000 0.346638 0.947467 O\n",
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}