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{
"id": "jvasp-119319",
"created_at": "2022-09-04T14:38:47.876151Z",
"updated_at": "2022-09-04T14:38:47.876175Z",
"structure_string": "Li4 Ni4 O8\n1.0\n5.008142 0.052710 2.861985\n1.654941 4.727096 2.861985\n0.021607 0.015500 5.753675\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 -0.000001 Li\n0.500000 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.499999 Ni\n0.000000 0.500000 0.499999 Ni\n0.000000 -0.000000 0.499999 Ni\n0.766072 0.766073 0.731878 O\n0.780726 0.243169 0.747831 O\n0.745051 0.745052 0.283209 O\n0.756831 0.219274 0.252166 O\n0.243168 0.780726 0.747831 O\n0.254949 0.254949 0.716789 O\n0.219274 0.756832 0.252166 O\n0.233928 0.233928 0.268119 O\n",
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{
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"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
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{
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"created_at": "2022-09-04T14:35:47.026230Z",
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"structure_string": "B5 Mo2\n1.0\n7.257035 -1.540114 0.007946\n7.257035 1.540114 0.007946\n6.927288 0.000000 2.655042\nB Mo\n5 2\ndirect\n0.668684 0.668684 0.668686 B\n0.331315 0.331315 0.331316 B\n0.815370 0.815370 0.815372 B\n0.184629 0.184629 0.184630 B\n0.499999 0.499999 0.500001 B\n0.924140 0.924140 0.924143 Mo\n0.075858 0.075858 0.075859 Mo\n",
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},
{
"id": "jvasp-51372",
"created_at": "2022-09-04T14:37:01.359847Z",
"updated_at": "2022-09-04T14:37:01.359876Z",
"structure_string": "H8 N4 O6\n1.0\n5.631960 0.000000 0.000000\n0.000000 5.631960 -0.000000\n0.000000 -0.000000 4.796700\nH N O\n8 4 6\ndirect\n0.527958 0.647698 0.374278 H\n0.972042 0.147698 0.625722 H\n0.472042 0.352302 0.374278 H\n0.027958 0.852302 0.625722 H\n0.647698 0.472042 0.625722 H\n0.852302 0.972042 0.374278 H\n0.352302 0.527958 0.625722 H\n0.147698 0.027958 0.374278 H\n0.500000 0.000000 0.963240 N\n0.000000 0.500000 0.036760 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.638642 0.861358 0.095488 O\n0.000000 0.500000 0.298311 O\n0.500000 0.000000 0.701689 O\n0.361358 0.138642 0.095488 O\n0.138642 0.638642 0.904512 O\n0.861358 0.361358 0.904512 O\n",
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"formula_full": "H8 N4 O6",
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{
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"created_at": "2022-09-04T14:35:42.868291Z",
"updated_at": "2022-09-04T14:35:42.868323Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.758949 -0.002251 4.138829\n1.251366 2.458839 4.138829\n-0.003675 -0.002251 4.974101\nLi Ni O\n1 1 2\ndirect\n1.000002 1.000000 0.999996 Li\n0.500005 0.500004 0.500001 Ni\n0.758629 0.758627 0.758624 O\n0.241374 0.241373 0.241372 O\n",
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},
{
"id": "jvasp-58405",
"created_at": "2022-09-04T14:37:36.215441Z",
"updated_at": "2022-09-04T14:37:36.215465Z",
"structure_string": "Li8 Ir1 O6\n1.0\n4.805754 0.000612 3.429258\n1.766112 4.469465 3.429258\n0.000901 0.000612 5.903819\nLi Ir O\n8 1 6\ndirect\n0.341315 0.341314 0.341316 Li\n0.516193 0.897866 0.233031 Li\n0.233030 0.516192 0.897868 Li\n0.897867 0.233029 0.516194 Li\n0.483807 0.102132 0.766971 Li\n0.766970 0.483806 0.102134 Li\n0.658684 0.658683 0.658686 Li\n0.102133 0.766969 0.483808 Li\n0.000000 0.000000 0.000000 Ir\n0.237627 0.909310 0.611918 O\n0.090688 0.388082 0.762374 O\n0.762373 0.090688 0.388084 O\n0.611917 0.237626 0.909313 O\n0.909311 0.611916 0.237628 O\n0.388083 0.762372 0.090690 O\n",
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],
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"formula_full": "Li8 Ir1 O6",
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{
"id": "jvasp-79795",
"created_at": "2022-09-04T14:37:16.586298Z",
"updated_at": "2022-09-04T14:37:16.586323Z",
"structure_string": "Li1 Ni1 O2\n1.0\n-1.443034 -2.499408 0.000000\n1.443034 -2.499408 0.000000\n-0.000000 -1.666272 4.686682\nLi Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ni\n0.258615 0.258615 0.224156 O\n0.741385 0.741385 0.775843 O\n",
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},
{
"id": "jvasp-112041",
"created_at": "2022-09-04T14:38:43.131440Z",
"updated_at": "2022-09-04T14:38:43.131448Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.840366 0.063376 0.877390\n1.724636 7.341967 3.441067\n-0.000282 -0.055220 10.711415\nSn H C O\n1 26 14 4\ndirect\n0.577517 0.365438 0.175939 Sn\n0.407091 0.604168 0.624161 H\n0.751078 0.477488 0.346762 H\n0.569005 0.299171 0.440676 H\n0.785779 0.240315 0.975137 H\n0.432784 0.204036 0.033391 H\n0.537348 0.698780 0.714841 H\n0.366273 0.527177 0.355096 H\n0.527939 0.985141 0.504750 H\n0.191159 0.936880 0.563066 H\n0.271059 0.797972 0.374668 H\n0.561288 0.905566 0.309169 H\n0.823468 0.287808 0.582279 H\n0.476900 0.426800 0.922053 H\n0.212460 0.397160 0.626649 H\n0.234623 0.070360 0.708777 H\n0.503267 0.040314 0.897083 H\n0.530776 0.820714 0.902718 H\n0.590885 0.798446 0.127522 H\n0.068739 0.084350 0.864447 H\n0.871752 0.913375 0.068637 H\n0.786725 0.967402 0.693322 H\n0.633783 0.304026 0.734538 H\n0.968842 0.721105 0.553844 H\n0.852260 0.620148 0.463575 H\n0.997772 0.439177 0.766108 H\n0.046284 0.807750 0.806139 H\n0.770630 0.823919 0.050348 C\n-0.010520 0.433664 0.665472 C\n0.653929 0.909312 0.907200 C\n0.883776 0.937455 0.788218 C\n0.025185 0.091353 0.764787 C\n0.845384 0.623616 0.566045 C\n0.849176 0.281698 0.684194 C\n0.983996 0.643541 0.070763 C\n0.400081 0.890184 0.515792 C\n0.538634 0.697175 0.612040 C\n0.151351 0.090005 0.302173 C\n0.566078 0.426807 0.351647 C\n0.567847 0.299691 0.004828 C\n0.356483 0.908503 0.370545 C\n0.915564 0.092596 0.265535 O\n0.910517 0.517402 0.054853 O\n0.234332 0.628017 0.098678 O\n0.214690 0.234808 0.290254 O\n",
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"volume": 380.3273833293599,
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"formula_full": "Sn1 H26 C14 O4",
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{
"id": "jvasp-112129",
"created_at": "2022-09-04T14:38:45.159924Z",
"updated_at": "2022-09-04T14:38:45.159942Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.602189 0.115475 -0.437349\n-1.973714 4.343801 -0.351658\n-0.374472 -0.049715 11.741427\nZn H C O\n1 14 9 4\ndirect\n0.476182 0.267920 0.829069 Zn\n0.573153 0.694569 0.452172 H\n0.589462 0.438110 0.114674 H\n0.289033 0.454943 0.190996 H\n0.103275 0.929328 0.382993 H\n0.010403 0.585921 0.294008 H\n0.496121 0.351241 0.365411 H\n0.011864 0.345313 0.476286 H\n0.559742 0.844691 0.002447 H\n0.273834 0.896448 0.080368 H\n0.917918 -0.006827 0.188751 H\n0.630093 -0.008671 0.274484 H\n0.237219 0.912860 0.560974 H\n0.937519 0.825182 0.645199 H\n0.699726 0.284681 0.556587 H\n0.100010 0.494036 0.960689 C\n0.362001 0.728242 0.048441 C\n0.486679 0.592440 0.148752 C\n0.738556 0.845993 0.236269 C\n0.868242 0.455429 0.512749 C\n0.688579 0.554302 0.414973 C\n0.080547 0.725476 0.602222 C\n0.291324 0.657690 0.695940 C\n0.904149 0.732135 0.332845 C\n0.128918 0.259986 0.914227 O\n0.439483 0.852351 0.784813 O\n0.318299 0.401738 0.684693 O\n0.845225 0.540622 0.937165 O\n",
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{
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"created_at": "2022-09-04T14:38:10.161776Z",
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"structure_string": "Li2 Cr1 Co1 O4\n1.0\n0.000000 4.939239 -0.009277\n2.893774 0.000000 0.000000\n0.000000 -1.655221 -4.724804\nLi Cr Co O\n2 1 1 4\ndirect\n0.500000 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.499999 0.500000 Co\n0.234564 0.000000 0.722934 O\n0.744425 0.499999 0.727241 O\n0.255575 0.499999 0.272758 O\n0.765436 0.000000 0.277066 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.036431Z",
"structure_string": "Mn2 O2\n1.0\n2.666584 0.000164 1.540109\n0.889098 2.514748 1.539965\n-0.457247 -2.209699 3.872427\nMn O\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500001 0.500001 Mn\n0.499998 0.750002 0.250002 O\n0.500000 0.249999 0.750000 O\n",
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},
{
"id": "jvasp-42434",
"created_at": "2022-09-04T14:37:29.956739Z",
"updated_at": "2022-09-04T14:37:29.956763Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.798278 0.000000 0.000000\n0.000000 4.788004 0.000000\n0.000000 0.000000 8.085022\nLi Fe O\n6 4 12\ndirect\n0.000000 0.500000 0.773313 Li\n0.000000 0.500000 0.066122 Li\n0.000000 0.000000 0.719132 Li\n0.500000 0.500000 0.219132 Li\n0.500000 0.000000 0.273313 Li\n0.500000 0.000000 0.566122 Li\n0.000000 0.000000 0.103183 Fe\n0.500000 0.500000 0.603183 Fe\n0.000000 0.500000 0.409495 Fe\n0.500000 0.000000 0.909495 Fe\n0.179409 0.293978 0.582448 O\n0.320591 0.793978 0.082448 O\n0.327564 0.705781 0.429208 O\n0.351229 0.756648 0.753561 O\n0.648771 0.243351 0.753561 O\n0.851230 0.743350 0.253561 O\n0.679409 0.206022 0.082448 O\n0.820592 0.706021 0.582448 O\n0.827565 0.794218 0.929207 O\n0.172436 0.205781 0.929207 O\n0.672436 0.294218 0.429208 O\n0.148771 0.256649 0.253561 O\n",
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]
}