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{
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{
"id": "jvasp-98302",
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"updated_at": "2022-09-04T14:36:00.022483Z",
"structure_string": "H36 Br4 O16\n1.0\n6.529724 0.170658 -2.280859\n0.389294 11.303198 0.296321\n0.193202 0.184085 7.206064\nH Br O\n36 4 16\ndirect\n0.330629 0.168428 0.987829 H\n0.867441 0.745390 0.293512 H\n0.919043 0.654894 0.491188 H\n0.339308 0.435044 0.523588 H\n0.187823 0.320517 0.489179 H\n0.656906 0.874935 0.661102 H\n0.807703 0.836677 0.533961 H\n0.618904 0.518957 0.671053 H\n0.572492 0.147199 0.387661 H\n0.605435 0.993820 0.435437 H\n0.367370 0.060093 0.343553 H\n0.854647 0.505942 0.169695 H\n0.004095 0.509889 0.043268 H\n0.141558 0.439080 0.315084 H\n0.988985 0.029005 0.952019 H\n0.905918 0.001777 0.734927 H\n0.127928 0.231313 0.719905 H\n0.110011 0.145232 0.547525 H\n0.470587 0.518314 0.801536 H\n0.347349 0.758105 0.371624 H\n0.347144 0.309538 0.004525 H\n0.702391 0.848883 0.031761 H\n0.861030 0.751017 0.003279 H\n0.943499 0.177890 0.159767 H\n0.783534 0.258111 0.952337 H\n0.051308 0.257992 0.038141 H\n0.031039 0.667360 0.837052 H\n0.161854 0.753665 0.983699 H\n0.578837 0.169307 0.818224 H\n0.642857 0.263685 0.680384 H\n0.403346 0.862198 0.110713 H\n0.494090 0.730058 0.140562 H\n0.629039 0.331260 0.361172 H\n0.829081 0.251815 0.491598 H\n0.156785 0.742958 0.476534 H\n0.380840 0.658114 0.563243 H\n0.514510 0.486861 0.125614 Br\n0.459728 -0.004096 0.868478 Br\n0.063800 0.008221 0.308997 Br\n0.943871 0.490756 0.702976 Br\n-0.001991 0.519186 0.177199 O\n0.513609 0.066681 0.345679 O\n0.471752 0.530922 0.663454 O\n0.724262 0.902672 0.566971 O\n0.255370 0.383150 0.423123 O\n0.938013 0.735872 0.442440 O\n0.084805 0.228567 0.575253 O\n0.316919 0.739748 0.500054 O\n0.389536 0.782543 0.168296 O\n0.614332 0.253863 0.808135 O\n0.027646 0.746859 0.886290 O\n0.925696 0.257811 0.084510 O\n0.756718 0.765859 0.073419 O\n0.251772 0.245701 0.973871 O\n0.676358 0.259730 0.453346 O\n0.949370 0.066995 0.819315 O\n",
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{
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"structure_string": "Be1 Sn1 Bi1\n1.0\n2.005640 -3.473871 -0.000000\n2.005640 3.473871 0.000000\n0.000000 0.000000 5.213892\nBe Sn Bi\n1 1 1\ndirect\n0.000000 0.000000 0.002848 Be\n0.666667 0.333333 0.242882 Sn\n0.333333 0.666667 0.754270 Bi\n",
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"density_atomic": 0.04129168051235298,
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{
"id": "jvasp-93775",
"created_at": "2022-09-04T14:36:00.021728Z",
"updated_at": "2022-09-04T14:36:00.021737Z",
"structure_string": "Mg2 In4\n1.0\n-4.345211 -4.345211 0.000000\n-4.345211 -0.000000 -4.345211\n0.000000 -4.345211 -4.345211\nMg In\n2 4\ndirect\n0.625000 0.625000 0.625000 Mg\n0.375000 0.375000 0.375000 Mg\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.000000 In\n",
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{
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"created_at": "2022-09-04T14:36:00.021414Z",
"updated_at": "2022-09-04T14:36:00.021442Z",
"structure_string": "Ba4 Mg1 Mo1\n1.0\n0.000000 4.900914 4.900914\n4.900914 0.000000 4.900914\n4.900914 4.900914 -0.000000\nBa Mg Mo\n4 1 1\ndirect\n0.122280 0.625906 0.625906 Ba\n0.625906 0.625906 0.625906 Ba\n0.625906 0.122280 0.625906 Ba\n0.625906 0.625906 0.122280 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n",
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"updated_at": "2022-09-04T14:36:00.020325Z",
"structure_string": "Be2 Cu1 Bi1\n1.0\n3.053971 0.000000 0.000000\n0.000000 3.053971 -0.000000\n0.000000 0.000000 6.832177\nBe Cu Bi\n2 1 1\ndirect\n0.000000 -0.000000 0.004757 Be\n0.500000 0.500000 0.158092 Be\n0.500000 0.500000 0.843608 Cu\n0.000000 -0.000000 0.493543 Bi\n",
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"created_at": "2022-09-04T14:36:00.016993Z",
"updated_at": "2022-09-04T14:36:00.017020Z",
"structure_string": "Hg1 B2 As1\n1.0\n0.000000 3.169199 3.169199\n3.169199 0.000000 3.169199\n3.169199 3.169199 -0.000000\nHg B As\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 B\n0.500000 0.500000 0.500000 As\n",
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"created_at": "2022-09-04T14:36:00.010516Z",
"updated_at": "2022-09-04T14:36:00.010541Z",
"structure_string": "Be1 P2 Rh1\n1.0\n3.941405 0.000000 0.000000\n0.000000 3.941405 0.000000\n0.000000 0.000000 3.372373\nBe P Rh\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.499999 0.000000 0.000000 P\n0.000000 0.499999 0.000000 P\n0.499999 0.499999 0.500000 Rh\n",
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{
"id": "jvasp-74059",
"created_at": "2022-09-04T14:36:00.008264Z",
"updated_at": "2022-09-04T14:36:00.008295Z",
"structure_string": "Be1 Ir1 W2\n1.0\n3.124622 0.000000 0.000000\n0.000000 3.124622 -0.000000\n0.000000 -0.000000 5.791151\nBe Ir W\n1 1 2\ndirect\n0.000000 0.000000 0.506381 Be\n0.500000 0.500000 0.714495 Ir\n0.000000 0.000000 0.017516 W\n0.500000 0.500000 0.261609 W\n",
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{
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"structure_string": "Ba1 Ca2 Ir1\n1.0\n4.708621 0.000000 0.000000\n0.000000 4.708621 0.000000\n0.000000 0.000000 5.115282\nBa Ca Ir\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\n",
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"updated_at": "2022-09-04T14:36:00.005942Z",
"structure_string": "As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n",
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{
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"created_at": "2022-09-04T14:36:00.005456Z",
"updated_at": "2022-09-04T14:36:00.005493Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.995790 0.083509 -1.465510\n-1.492728 6.129076 -3.152932\n0.007715 0.003278 7.374639\nK C Br N O\n2 2 2 4 8\ndirect\n0.328022 0.278892 0.127350 K\n0.671977 0.721109 0.872650 K\n0.952559 0.243085 0.537849 C\n0.047441 0.756917 0.462152 C\n0.796815 0.203473 0.711292 Br\n0.203184 0.796528 0.288709 Br\n0.822474 0.638335 0.369422 N\n0.177525 0.361666 0.630578 N\n0.834137 0.158926 0.323753 N\n0.165862 0.841075 0.676248 N\n0.272900 0.421441 0.825464 O\n0.714947 0.587805 0.473432 O\n0.727099 0.578560 0.174537 O\n0.371862 0.945516 0.741801 O\n0.628137 0.054485 0.258199 O\n0.285052 0.412196 0.526569 O\n0.924616 0.179103 0.194245 O\n0.075383 0.820898 0.805756 O\n",
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