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{
"id": "jvasp-91895",
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{
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"structure_string": "Ca1 H2 O2\n1.0\n1.922907 -3.330572 -0.000000\n1.922907 3.330572 0.000000\n0.000000 -0.000000 4.481477\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.031146 Ca\n0.333334 0.666668 0.990920 H\n0.666668 0.333334 0.572003 H\n0.333334 0.666668 0.211161 O\n0.666668 0.333334 0.789913 O\n",
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{
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"created_at": "2022-09-04T14:38:49.991594Z",
"updated_at": "2022-09-04T14:38:49.991621Z",
"structure_string": "Al2 P2\n1.0\n3.852581 0.410753 0.343290\n-1.395552 -4.977835 -0.415493\n-1.557497 0.318318 -4.936999\nAl P\n2 2\ndirect\n0.835685 0.024893 0.024616 Al\n0.835689 0.395483 0.654112 Al\n0.203487 0.740350 0.044738 P\n0.203416 0.415479 0.369569 P\n",
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{
"id": "jvasp-34278",
"created_at": "2022-09-04T14:37:10.164077Z",
"updated_at": "2022-09-04T14:37:10.164095Z",
"structure_string": "Na4 C1 O4\n1.0\n5.161098 0.522757 1.042244\n0.951491 5.099389 1.042415\n0.568170 0.522773 5.234415\nNa C O\n4 1 4\ndirect\n0.942224 0.426840 0.426839 Na\n0.426836 0.942200 0.426834 Na\n0.426836 0.426828 0.942229 Na\n0.822088 0.822120 0.822112 Na\n0.040462 0.040462 0.040454 C\n0.157558 0.157566 0.157564 O\n0.871675 0.871667 0.248974 O\n0.871667 0.248988 0.871651 O\n0.248997 0.871671 0.871671 O\n",
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{
"id": "jvasp-49856",
"created_at": "2022-09-04T14:36:54.243676Z",
"updated_at": "2022-09-04T14:36:54.243712Z",
"structure_string": "K4 Be4 O6\n1.0\n0.000000 4.968961 -0.002447\n7.950325 0.000000 0.000000\n0.000000 -2.727981 -5.656789\nK Be O\n4 4 6\ndirect\n0.216673 0.351025 0.929705 K\n0.216673 0.148976 0.429705 K\n0.783328 0.851025 0.570295 K\n0.783327 0.648976 0.070295 K\n0.304316 0.513117 0.505780 Be\n0.695684 0.013117 0.994221 Be\n0.304316 0.986883 0.005780 Be\n0.695684 0.486883 0.494221 Be\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.392487 0.939896 0.799384 O\n0.607513 0.439896 0.700617 O\n0.392487 0.560105 0.299383 O\n0.607513 0.060104 0.200617 O\n",
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"formula_full": "K4 Be4 O6",
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{
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"created_at": "2022-09-04T14:36:15.135656Z",
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"structure_string": "Na1 Be1 Si2\n1.0\n3.240799 -0.000000 -0.000000\n-0.000000 3.240799 0.000000\n-0.000000 0.000000 6.506153\nNa Be Si\n1 1 2\ndirect\n0.500000 0.500000 0.744851 Na\n0.000000 0.000000 0.404648 Be\n0.000000 0.000000 0.067587 Si\n0.500000 0.500000 0.282914 Si\n",
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},
{
"id": "jvasp-105153",
"created_at": "2022-09-04T14:38:48.124352Z",
"updated_at": "2022-09-04T14:38:48.124381Z",
"structure_string": "Cs1 Ca3\n1.0\n5.648419 -0.000000 3.261116\n1.882806 5.325380 3.261116\n-0.000000 -0.000000 6.522232\nCs Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
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{
"id": "jvasp-31334",
"created_at": "2022-09-04T14:38:03.339121Z",
"updated_at": "2022-09-04T14:38:03.339151Z",
"structure_string": "Mg1 H12 Se1 O9\n1.0\n5.872169 -0.059136 -0.801670\n-0.910597 5.801437 -0.801670\n-0.051096 -0.059136 5.926417\nMg H Se O\n1 12 1 9\ndirect\n-0.000090 -0.000090 -0.000090 Mg\n0.382201 0.189323 0.815585 H\n0.284024 0.085121 0.421290 H\n0.085121 0.421290 0.284025 H\n0.421289 0.284025 0.085121 H\n0.740809 0.136460 0.630260 H\n0.136460 0.630260 0.740810 H\n0.630260 0.740809 0.136461 H\n0.954376 0.027639 0.536271 H\n0.027639 0.536271 0.954377 H\n0.815584 0.382201 0.189323 H\n0.536271 0.954377 0.027640 H\n0.189323 0.815585 0.382201 H\n0.542009 0.542009 0.542010 Se\n0.964212 0.339528 0.146570 O\n0.339528 0.146569 0.964213 O\n0.874932 0.056211 0.671834 O\n0.056211 0.671834 0.874933 O\n0.671834 0.874933 0.056212 O\n0.501593 0.257185 0.587847 O\n0.257185 0.587847 0.501594 O\n0.587846 0.501594 0.257186 O\n0.146569 0.964212 0.339528 O\n",
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{
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"structure_string": "Ca1 Mg6 Mn1\n1.0\n6.567028 -0.065638 0.000000\n-3.340357 5.654393 0.000000\n0.000000 0.000000 5.060394\nCa Mg Mn\n1 6 1\ndirect\n0.176786 0.323214 0.250000 Ca\n0.177903 0.840501 0.250000 Mg\n0.659498 0.322096 0.250000 Mg\n0.662868 0.837130 0.250000 Mg\n0.330612 0.682386 0.749999 Mg\n0.817613 0.169388 0.749999 Mg\n0.828384 0.671615 0.749999 Mg\n0.346333 0.153667 0.749999 Mn\n",
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{
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"structure_string": "Na3 Y1 Cl6\n1.0\n6.415546 -0.000000 3.704017\n2.138515 6.048635 3.704017\n-0.000000 -0.000000 7.408035\nNa Y Cl\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.751735 0.248265 0.248265 Cl\n0.248266 0.248265 0.751734 Cl\n0.248266 0.751734 0.751734 Cl\n0.248266 0.751734 0.248266 Cl\n0.751735 0.248265 0.751734 Cl\n0.751736 0.751734 0.248266 Cl\n",
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"structure_string": "Mg6 Ti1 B1\n1.0\n6.553867 1.242421 0.000000\n-2.200967 6.297025 0.000000\n0.000000 0.000000 3.605053\nMg Ti B\n6 1 1\ndirect\n0.207151 0.943873 0.250000 Mg\n0.556127 0.292849 0.250000 Mg\n0.670199 0.829802 0.250000 Mg\n0.382519 0.614628 0.749999 Mg\n0.885373 0.117481 0.749999 Mg\n0.901596 0.598404 0.749999 Mg\n0.134803 0.365198 0.250000 Ti\n0.262233 0.237767 0.749999 B\n",
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