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{
"id": "jvasp-91870",
"created_at": "2022-09-04T14:36:01.985282Z",
"updated_at": "2022-09-04T14:36:01.985315Z",
"structure_string": "Mg7 Ti1\n1.0\n6.347491 0.000000 -0.000000\n-3.173746 5.497088 -0.000000\n-0.000000 -0.000000 5.006372\nMg Ti\n7 1\ndirect\n0.170140 0.835071 0.250000 Mg\n0.664930 0.329860 0.250000 Mg\n0.664929 0.835071 0.250000 Mg\n0.327473 0.172527 0.750000 Mg\n0.327473 0.654949 0.750000 Mg\n0.845051 0.172527 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Ti\n",
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{
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"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855065 0.026831 -0.233346\n-0.563846 4.323288 -0.553964\n-0.226463 -0.071559 15.040204\nCd H C O\n1 16 10 4\ndirect\n0.506414 0.008784 0.145015 Cd\n0.529357 0.827894 0.523873 H\n0.238590 0.598481 0.918747 H\n0.834315 0.613846 0.963384 H\n0.952834 0.477051 0.761463 H\n0.534771 0.490374 0.799233 H\n0.670124 0.373500 0.600664 H\n0.246901 0.363571 0.636656 H\n0.392787 0.269140 0.438254 H\n0.962600 0.226816 0.471296 H\n0.037346 0.034409 0.850946 H\n0.628435 0.068123 0.892833 H\n0.778521 0.930849 0.687613 H\n0.360031 0.935448 0.726128 H\n0.302625 0.719889 0.360049 H\n0.878281 0.671870 0.394082 H\n0.107121 0.808314 0.560706 H\n0.161929 0.337283 0.026563 C\n0.022039 0.455096 0.942643 C\n0.851676 0.200854 0.867919 C\n0.730483 0.332512 0.783094 C\n0.579290 0.084290 0.704670 C\n0.186911 0.100964 0.456862 C\n0.318797 0.969253 0.540703 C\n0.082299 0.846372 0.376965 C\n0.928528 0.950640 0.292356 C\n0.453692 0.217403 0.620498 C\n0.429664 0.485401 0.075468 O\n0.994895 0.814521 0.215148 O\n0.715177 0.151035 0.296648 O\n0.023975 0.078375 0.046166 O\n",
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{
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"updated_at": "2022-09-04T14:35:59.737287Z",
"structure_string": "Li4 Fe2 F8\n1.0\n3.158538 0.000000 0.000000\n0.000000 8.585094 0.000000\n0.000000 0.000000 8.611149\nLi Fe F\n4 2 8\ndirect\n0.000000 0.258324 0.487985 Li\n0.000000 0.234471 0.988070 Li\n0.000000 0.758324 0.512015 Li\n0.000000 0.734470 0.011930 Li\n0.500000 -0.003561 0.750026 Fe\n0.500000 0.496439 0.249974 Fe\n0.000000 0.111482 0.635335 F\n0.500000 0.164756 0.918102 F\n0.500000 0.328079 0.418018 F\n0.000000 0.381423 0.135284 F\n0.000000 0.611482 0.364666 F\n0.500000 0.664755 0.081898 F\n0.500000 0.828079 0.581982 F\n0.000000 0.881423 0.864716 F\n",
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"volume": 233.50289257757672,
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{
"id": "jvasp-112117",
"created_at": "2022-09-04T14:38:44.510978Z",
"updated_at": "2022-09-04T14:38:44.511007Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855210 0.019031 -0.226362\n-0.552241 4.323129 -0.567902\n-0.249571 -0.028419 15.038359\nCd H C O\n1 16 10 4\ndirect\n0.480044 0.038907 0.147716 Cd\n0.503252 0.858316 0.526525 H\n0.212635 0.628690 0.921456 H\n0.808239 0.644161 0.966089 H\n0.927217 0.507223 0.764118 H\n0.509178 0.521008 0.801937 H\n0.644270 0.403810 0.603314 H\n0.221115 0.394294 0.639392 H\n0.366399 0.299622 0.440943 H\n0.936288 0.257422 0.474067 H\n0.011621 0.064715 0.853622 H\n0.602615 0.098548 0.895510 H\n0.752596 0.961134 0.690271 H\n0.334178 0.966173 0.728863 H\n0.276409 0.750405 0.362743 H\n0.852109 0.702520 0.396838 H\n0.081137 0.839022 0.563474 H\n0.135851 0.367486 0.029257 C\n-0.003941 0.485374 0.945341 C\n0.825867 0.231204 0.870600 C\n0.704784 0.362925 0.785774 C\n0.553454 0.114783 0.707359 C\n0.160637 0.131523 0.459587 C\n0.292740 -0.000190 0.543413 C\n0.056044 0.876938 0.379691 C\n0.902155 0.981163 0.295090 C\n0.427819 0.247932 0.623194 C\n0.403443 0.515523 0.078188 O\n0.968532 0.844893 0.217868 O\n0.688722 0.181581 0.299385 O\n-0.002036 0.108580 0.048823 O\n",
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{
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"created_at": "2022-09-04T14:37:15.244022Z",
"updated_at": "2022-09-04T14:37:15.244054Z",
"structure_string": "Li1 S1\n1.0\n3.535383 -0.000000 -0.000000\n1.767692 3.061731 -0.000000\n1.767692 1.020577 2.886628\nLi S\n1 1\ndirect\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-22572",
"created_at": "2022-09-04T14:36:55.747666Z",
"updated_at": "2022-09-04T14:36:55.747684Z",
"structure_string": "Si4 O8\n1.0\n4.668734 0.000003 1.817261\n2.334342 6.198965 0.908686\n0.085744 0.000061 6.685567\nSi O\n4 8\ndirect\n0.784280 0.353392 0.003703 Si\n0.212025 0.003702 0.646606 Si\n0.862334 0.996296 0.353394 Si\n0.141372 0.646611 0.996303 Si\n0.872600 0.544319 0.059616 O\n0.583085 0.940386 0.544318 O\n0.067779 0.059616 0.455687 O\n0.084427 0.786262 0.198774 O\n0.069457 0.213742 0.801223 O\n0.716796 0.198766 0.213738 O\n0.476532 0.455683 0.940386 O\n0.129299 0.801227 0.786263 O\n",
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{
"id": "jvasp-5407",
"created_at": "2022-09-04T14:38:11.874861Z",
"updated_at": "2022-09-04T14:38:11.874889Z",
"structure_string": "K8 Mn2 Cl12\n1.0\n8.790356 -0.035301 0.036519\n0.036220 8.790352 0.036519\n-0.035590 -0.035301 8.790359\nK Mn Cl\n8 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250026 0.250026 0.958284 Cl\n0.750026 0.750026 0.458284 Cl\n0.541716 0.249974 0.249974 Cl\n0.249974 0.541716 0.249974 Cl\n0.249974 0.249974 0.541716 Cl\n0.749975 0.041716 0.749975 Cl\n0.749975 0.749974 0.041716 Cl\n0.041716 0.749974 0.749975 Cl\n0.458284 0.750026 0.750026 Cl\n0.750026 0.458284 0.750026 Cl\n0.958285 0.250026 0.250026 Cl\n0.250026 0.958284 0.250026 Cl\n",
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{
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"structure_string": "Ca1 H1 Br1\n1.0\n4.650028 3.052330 0.000000\n3.761433 6.862117 0.000000\n0.000000 0.000000 4.743604\nCa H Br\n1 1 1\ndirect\n0.245363 0.015391 0.000000 Ca\n-0.041132 0.444997 0.000000 H\n0.118913 -0.275948 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:44.553347Z",
"updated_at": "2022-09-04T14:38:44.553375Z",
"structure_string": "Sn1 H14 C8 O6\n1.0\n5.232450 0.055293 -0.039729\n-0.380411 5.460621 -1.803360\n0.175931 -0.262598 9.186663\nSn H C O\n1 14 8 6\ndirect\n0.265714 0.332244 0.680772 Sn\n0.944842 0.310292 0.485309 H\n0.878873 0.377251 0.837346 H\n0.896820 0.424196 0.097039 H\n0.777715 0.859269 0.263559 H\n0.069357 0.767354 0.313820 H\n0.924192 0.809791 0.560749 H\n0.863653 0.335026 0.261271 H\n0.650863 0.074950 0.905932 H\n0.760940 0.928095 0.028768 H\n0.406959 0.065254 0.210104 H\n0.218208 0.120409 0.068128 H\n0.396275 0.498296 0.281947 H\n0.446947 0.501153 0.092306 H\n0.652506 0.615768 0.487035 H\n0.503770 0.412110 0.175112 C\n0.414203 0.137388 0.113421 C\n0.584656 0.977022 0.985011 C\n0.763444 0.777398 0.478375 C\n0.861146 0.729335 0.311646 C\n0.599848 0.993884 0.541532 C\n0.449787 0.746737 0.880615 C\n0.792802 0.462567 0.206830 C\n0.628157 0.191559 0.510101 O\n-0.007034 0.238663 0.806107 O\n0.130099 0.356797 0.487671 O\n0.580878 0.549127 0.815501 O\n0.215722 0.731309 0.844473 O\n0.416817 0.979319 0.636067 O\n",
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{
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"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n",
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"formula_full": "Li4 Al4 Si4 H8 O20",
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{
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"structure_string": "Na1 Al1 P1\n1.0\n2.829618 0.000000 0.000000\n0.000000 2.829618 -0.000000\n-0.000000 0.000000 8.092234\nNa Al P\n1 1 1\ndirect\n0.000000 0.000000 0.666052 Na\n0.000000 0.000000 0.297789 Al\n0.000000 0.000000 0.003035 P\n",
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}