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{
"id": "jvasp-74266",
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"structure_string": "Na2 Ti1 Be2\n1.0\n-2.322297 2.322297 4.044391\n2.322297 -2.322297 4.044391\n2.322297 2.322297 -4.044391\nNa Ti Be\n2 1 2\ndirect\n0.634501 0.634501 0.000000 Na\n0.365498 0.365498 0.000000 Na\n0.000000 0.000000 0.000000 Ti\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Be\n",
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{
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"structure_string": "He4 Si4 O8\n1.0\n4.890047 -0.046656 7.738635\n2.205065 4.364908 7.738635\n-0.076659 -0.046656 9.153860\nHe Si O\n4 4 8\ndirect\n0.681382 0.681380 0.681380 He\n0.318620 0.318619 0.318619 He\n0.181381 0.181380 0.181380 He\n0.818621 0.818618 0.818618 He\n0.937632 0.937629 0.937629 Si\n0.062370 0.062370 0.062370 Si\n0.437631 0.437630 0.437630 Si\n0.562371 0.562369 0.562369 Si\n0.000000 0.000000 0.000000 O\n0.500001 0.499999 0.499999 O\n0.683218 0.249999 0.816783 O\n0.250001 0.816782 0.683216 O\n0.816784 0.683217 0.249999 O\n0.316784 0.750000 0.183216 O\n0.750001 0.183216 0.316782 O\n0.183218 0.316782 0.750000 O\n",
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{
"id": "jvasp-35196",
"created_at": "2022-09-04T14:38:32.310443Z",
"updated_at": "2022-09-04T14:38:32.310464Z",
"structure_string": "Na8 P1 O3\n1.0\n5.896271 0.000000 -0.000000\n-0.000000 5.896271 -0.000000\n0.000000 0.000000 5.896271\nNa P O\n8 1 3\ndirect\n0.264748 0.264748 0.264748 Na\n0.735252 0.735252 0.264748 Na\n0.735252 0.264748 0.735252 Na\n0.264748 0.735252 0.735252 Na\n0.264748 0.264748 0.735252 Na\n0.735252 0.735252 0.735252 Na\n0.735252 0.264748 0.264748 Na\n0.264748 0.735252 0.264748 Na\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.0585394904653252,
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"formula_full": "Na8 P1 O3",
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{
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"created_at": "2022-09-04T14:38:15.664449Z",
"updated_at": "2022-09-04T14:38:15.664471Z",
"structure_string": "Al2 S2 Cl6 O4\n1.0\n6.127764 0.082250 0.044033\n-2.417242 6.812268 -0.116792\n-2.086350 -1.370545 7.341605\nAl S Cl O\n2 2 6 4\ndirect\n0.720386 0.199516 0.844922 Al\n0.279614 0.800484 0.155079 Al\n0.376835 0.748238 0.760836 S\n0.623165 0.251761 0.239164 S\n0.900189 0.722811 0.088615 Cl\n0.063433 0.801359 0.618696 Cl\n0.099810 0.277188 0.911385 Cl\n0.444017 0.657290 0.346931 Cl\n0.936567 0.198640 0.381305 Cl\n0.555983 0.342709 0.653069 Cl\n0.581431 0.932478 0.758601 O\n0.633363 0.231057 0.046223 O\n0.366637 0.768943 0.953778 O\n0.418569 0.067522 0.241400 O\n",
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{
"id": "jvasp-54715",
"created_at": "2022-09-04T14:37:00.836455Z",
"updated_at": "2022-09-04T14:37:00.836474Z",
"structure_string": "H14 Br2 O6\n1.0\n6.108026 0.000000 0.003661\n-0.012891 2.913432 5.910865\n-0.012891 -2.913432 5.910865\nH Br O\n14 2 6\ndirect\n0.489405 0.774668 0.047946 H\n0.231239 0.315740 0.235306 H\n0.254125 0.209904 0.075055 H\n0.803328 0.239165 0.317206 H\n0.776627 0.080398 0.201425 H\n0.303328 0.817206 0.739166 H\n0.034719 0.722207 0.710684 H\n0.534719 0.210683 0.222207 H\n0.754125 0.575055 0.709904 H\n0.731239 0.735307 0.815741 H\n0.012006 0.276325 0.551626 H\n0.989405 0.547945 0.274668 H\n0.512006 0.051626 0.776325 H\n0.276627 0.701425 0.580399 H\n0.503557 0.502548 0.499032 Br\n0.003557 -0.000969 0.002548 Br\n0.698237 0.125466 0.303915 O\n0.501390 0.865312 0.860448 O\n0.001389 0.360447 0.365312 O\n0.834276 0.622763 0.807122 O\n0.198237 0.803916 0.625467 O\n0.334276 0.307122 0.122762 O\n",
"nsites": 22,
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{
"id": "jvasp-33885",
"created_at": "2022-09-04T14:37:57.390240Z",
"updated_at": "2022-09-04T14:37:57.390265Z",
"structure_string": "C4 O8\n1.0\n4.370043 0.776646 0.000000\n0.000000 0.000000 4.066558\n-4.567599 -8.526997 0.000000\nC O\n4 8\ndirect\n0.310964 0.282347 0.198820 C\n0.189035 0.782348 0.301179 C\n0.689035 0.717653 0.801179 C\n0.810964 0.217653 0.698820 C\n0.405536 0.383506 0.114929 O\n0.094464 0.883507 0.385070 O\n0.594463 0.616494 0.885070 O\n0.905535 0.116494 0.614929 O\n0.224456 0.446000 0.292398 O\n0.275544 0.946000 0.207602 O\n0.775543 0.554001 0.707602 O\n0.724455 0.054001 0.792398 O\n",
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{
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"created_at": "2022-09-04T14:38:42.764423Z",
"updated_at": "2022-09-04T14:38:42.764452Z",
"structure_string": "Ga1 Ag1 Se1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nGa Ag Se\n1 1 1\ndirect\n0.322689 -0.000088 0.000000 Ga\n-0.008642 -0.066056 0.000000 Ag\n-0.000031 0.338172 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:28.052773Z",
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"structure_string": "Si4\n1.0\n0.000000 -0.000000 -3.881236\n-3.356981 -3.356981 -1.940618\n-3.356981 3.356981 -1.940618\nSi\n4\ndirect\n0.178863 0.642275 0.000000 Si\n0.821139 0.357725 0.000000 Si\n0.821139 0.000000 0.357725 Si\n0.178863 0.000000 0.642275 Si\n",
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{
"id": "jvasp-59767",
"created_at": "2022-09-04T14:38:28.384806Z",
"updated_at": "2022-09-04T14:38:28.384836Z",
"structure_string": "Fe1 Cu2 C6 N6\n1.0\n6.235810 -0.000000 3.600247\n2.078603 5.879177 3.600247\n0.000000 -0.000000 7.200493\nFe Cu C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Cu\n0.185336 0.814663 0.185337 C\n0.814663 0.185337 0.814663 C\n0.185336 0.814663 0.814663 C\n0.814663 0.185337 0.185337 C\n0.185337 0.185337 0.814663 C\n0.814663 0.814663 0.185338 C\n0.300247 0.699753 0.699753 N\n0.699753 0.300247 0.699753 N\n0.300247 0.699753 0.300247 N\n0.699753 0.300247 0.300247 N\n0.300247 0.300247 0.699753 N\n0.699753 0.699753 0.300248 N\n",
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{
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"created_at": "2022-09-04T14:38:52.681476Z",
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"structure_string": "H1 Cl2\n1.0\n3.644531 0.000000 0.114280\n0.000000 2.640486 0.000000\n0.249253 0.000000 5.823836\nH Cl\n1 2\ndirect\n0.466746 0.000000 0.133325 H\n-0.312704 0.000000 -0.107895 Cl\n0.245957 0.000000 0.374570 Cl\n",
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{
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"structure_string": "Ni4 H16 C8 S16 N8\n1.0\n7.032317 0.041532 0.000000\n0.006073 8.448827 0.000000\n0.000000 0.000000 12.732671\nNi H C S N\n4 16 8 16 8\ndirect\n0.861224 0.975495 0.873391 Ni\n0.638776 0.524505 0.373391 Ni\n0.138776 0.024505 0.126609 Ni\n0.361224 0.475495 0.626608 Ni\n0.514194 0.883351 0.853347 H\n0.309650 0.446884 0.912742 H\n0.014194 0.383351 0.646653 H\n0.190350 0.053116 0.412742 H\n0.682876 0.042878 0.487584 H\n0.866224 0.484305 0.736120 H\n0.633777 0.015695 0.236120 H\n0.182875 0.542879 0.012416 H\n0.809651 0.946884 0.587258 H\n0.985806 0.616649 0.353347 H\n0.485806 0.116649 0.146653 H\n0.817125 0.457122 0.987584 H\n0.690349 0.553116 0.087258 H\n0.317124 0.957122 0.512416 H\n0.133776 0.515695 0.263880 H\n0.366223 0.984306 0.763880 H\n0.604021 0.254125 0.261776 C\n0.191726 0.300869 0.025043 C\n0.395979 0.745875 0.738224 C\n0.808274 0.699131 0.974957 C\n0.691726 0.800869 0.474957 C\n0.104020 0.754126 0.238224 C\n0.308274 0.199131 0.525043 C\n0.895980 0.245874 0.761776 C\n0.282578 0.121500 0.985940 S\n0.782578 0.621500 0.514060 S\n0.506679 0.434498 0.228217 S\n0.051523 0.275922 0.133761 S\n0.448477 0.224078 0.633761 S\n0.493321 0.565502 0.771783 S\n0.993322 0.065503 0.728217 S\n0.948477 0.724078 0.866239 S\n0.258883 0.724588 0.627755 S\n0.217422 0.378500 0.485940 S\n0.717422 0.878500 0.014060 S\n0.006678 0.934498 0.271783 S\n0.741117 0.275412 0.372245 S\n0.241116 0.775413 0.127755 S\n0.758884 0.224587 0.872245 S\n0.551523 0.775922 0.366239 S\n0.575433 0.120564 0.210557 N\n0.225271 0.438012 0.978495 N\n0.075432 0.620565 0.289443 N\n0.924568 0.379435 0.710557 N\n0.274729 0.061988 0.478495 N\n0.424567 0.879436 0.789443 N\n0.725271 0.938012 0.521505 N\n0.774729 0.561988 0.021505 N\n",
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}