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{
"id": "jvasp-120436",
"created_at": "2022-09-04T14:38:44.656737Z",
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"structure_string": "Na4 Cl12\n1.0\n5.662046 0.000000 0.000000\n0.000000 7.893322 0.000000\n-0.000000 -0.000000 8.357668\nNa Cl\n4 12\ndirect\n0.250000 0.040381 0.821529 Na\n0.250000 0.459619 0.321529 Na\n0.750001 0.959619 0.178472 Na\n0.750001 0.540380 0.678472 Na\n0.250000 0.347076 0.640823 Cl\n0.250000 0.152924 0.140823 Cl\n0.750001 0.652924 0.359177 Cl\n0.750001 0.847076 0.859177 Cl\n0.250000 0.783420 0.580568 Cl\n0.250000 0.716580 0.080568 Cl\n0.750001 0.216580 0.419432 Cl\n0.750001 0.283420 0.919432 Cl\n0.250000 0.544077 0.874700 Cl\n0.250000 0.955923 0.374700 Cl\n0.750001 0.455923 0.125300 Cl\n0.750001 0.044077 0.625300 Cl\n",
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{
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{
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"updated_at": "2022-09-04T14:35:47.636284Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n3.770927 -0.000833 0.002661\n-1.884215 4.809833 -0.072340\n-0.007566 -0.254889 10.385426\nLi Mn O F\n2 4 4 6\ndirect\n0.135885 0.274362 0.043149 Li\n0.863365 0.729265 0.956234 Li\n0.139321 0.281247 0.452116 Mn\n0.178888 0.360317 0.756270 Mn\n0.820365 0.643323 0.243117 Mn\n0.859887 0.722389 0.547272 Mn\n0.048546 0.099658 0.610770 O\n0.680203 0.363007 0.442497 O\n0.319013 0.640632 0.556896 O\n0.950675 0.903979 0.388618 O\n0.033781 0.070223 0.878456 F\n0.696708 0.395975 0.084527 F\n0.235485 0.473560 0.277602 F\n0.763752 0.530082 0.721788 F\n0.302542 0.607653 0.914863 F\n0.965583 0.933416 0.120932 F\n",
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{
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"created_at": "2022-09-04T14:35:59.753563Z",
"updated_at": "2022-09-04T14:35:59.753592Z",
"structure_string": "Li2 V2 Ge2 O10\n1.0\n0.000000 4.670502 0.099612\n6.365198 0.000000 0.000000\n0.000000 -0.442916 -6.596529\nLi V Ge O\n2 2 2 10\ndirect\n-0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.382651 0.750000 0.248139 V\n0.617347 0.250000 0.751861 V\n0.475136 0.250000 0.252201 Ge\n0.524863 0.750000 0.747799 Ge\n0.648158 0.250000 0.023842 O\n0.729067 0.750000 0.310893 O\n0.249021 0.474772 0.264029 O\n0.249021 0.025228 0.264029 O\n0.742968 0.250000 0.456787 O\n0.257031 0.750000 0.543214 O\n0.750977 0.974773 0.735972 O\n0.750977 0.525228 0.735972 O\n0.270931 0.250000 0.689108 O\n0.351841 0.750000 0.976158 O\n",
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{
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"created_at": "2022-09-04T14:35:56.941643Z",
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"structure_string": "Ta8 Al2 C6\n1.0\n3.106445 -0.000000 0.000000\n-1.553222 2.690261 -0.000000\n0.000000 0.000000 24.745726\nTa Al C\n8 2 6\ndirect\n0.666668 0.333333 0.340478 Ta\n0.333334 0.666667 0.840478 Ta\n0.333334 0.666667 0.659523 Ta\n0.666668 0.333333 0.159523 Ta\n0.333334 0.666667 0.445201 Ta\n0.666668 0.333333 0.945202 Ta\n0.666668 0.333333 0.554799 Ta\n0.333334 0.666667 0.054799 Ta\n0.666668 0.333333 0.750000 Al\n0.333334 0.666667 0.250000 Al\n0.000000 0.000000 0.389517 C\n0.000000 0.000000 0.889517 C\n0.000000 0.000000 0.610483 C\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.110483 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-86537",
"created_at": "2022-09-04T14:36:00.805449Z",
"updated_at": "2022-09-04T14:36:00.805461Z",
"structure_string": "V2 S4 N6 Cl4\n1.0\n5.600664 0.021725 -0.902687\n-1.016558 6.781149 -0.656523\n0.069530 0.003646 7.713795\nV S N Cl\n2 4 6 4\ndirect\n0.763902 0.848347 0.021008 V\n0.236097 0.151653 0.978991 V\n0.742654 0.637187 0.357552 S\n0.812776 0.119170 0.664870 S\n0.257345 0.362813 0.642448 S\n0.187223 0.880830 0.335129 S\n0.986580 0.257089 0.571590 N\n0.068370 0.925623 0.145781 N\n0.013419 0.742911 0.428409 N\n0.658370 0.696709 0.167832 N\n0.341629 0.303291 0.832168 N\n0.931629 0.074377 0.854218 N\n0.377726 0.868794 0.827642 Cl\n0.183612 0.383790 0.190604 Cl\n0.622273 0.131206 0.172357 Cl\n0.816387 0.616210 0.809395 Cl\n",
"nsites": 16,
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"elements": [
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"formula_full": "V2 S4 N6 Cl4",
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{
"id": "jvasp-48825",
"created_at": "2022-09-04T14:36:00.830248Z",
"updated_at": "2022-09-04T14:36:00.830275Z",
"structure_string": "Li6 Ni2 O4 F4\n1.0\n0.000000 4.933405 0.004296\n5.821709 0.000000 0.000000\n0.000000 -1.500879 -4.720289\nLi Ni O F\n6 2 4 4\ndirect\n0.250000 0.117486 0.500000 Li\n0.250000 0.634193 0.500000 Li\n0.250000 0.366627 -0.000000 Li\n0.750000 0.365807 0.499999 Li\n0.750000 0.882514 0.499999 Li\n0.750000 0.633373 -0.000001 Li\n0.250000 0.889540 -0.000000 Ni\n0.750000 0.110460 -0.000001 Ni\n0.013972 0.886636 0.229787 O\n0.486028 0.886636 0.770213 O\n0.513972 0.113364 0.229787 O\n0.986029 0.113364 0.770212 O\n-0.000946 0.618802 0.746783 F\n0.499054 0.381198 0.746782 F\n0.500947 0.618802 0.253217 F\n0.000946 0.381198 0.253217 F\n",
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{
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"created_at": "2022-09-04T14:35:56.643540Z",
"updated_at": "2022-09-04T14:35:56.643561Z",
"structure_string": "Cr2 Pb4 O10\n1.0\n5.305819 0.000088 -2.150880\n-1.131386 6.506677 -2.790826\n-0.022415 0.032736 7.563539\nCr Pb O\n2 4 10\ndirect\n0.170238 0.660699 0.340490 Cr\n0.829761 0.339301 0.659510 Cr\n0.482815 0.733510 0.965600 Pb\n0.517186 0.266491 0.034400 Pb\n0.144329 0.114136 0.288757 Pb\n0.855671 0.885865 0.711243 Pb\n0.747771 0.000002 -0.000024 O\n0.252229 -0.000002 0.000024 O\n0.616424 0.224730 0.701822 O\n0.914637 0.775327 0.298107 O\n0.383577 0.775272 0.298177 O\n0.085363 0.224674 0.701893 O\n0.907991 0.589806 0.815970 O\n0.092011 0.410195 0.184031 O\n0.295155 0.694445 0.590514 O\n0.704846 0.305558 0.409487 O\n",
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{
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"structure_string": "Zr6 Rh10\n1.0\n5.616580 -0.034111 -0.000000\n-1.223700 5.481760 0.000000\n0.000000 0.000000 8.709762\nZr Rh\n6 10\ndirect\n0.569267 0.569267 0.750000 Zr\n0.430733 0.430733 0.250000 Zr\n0.207983 0.792017 0.500000 Zr\n0.792017 0.207983 0.000000 Zr\n0.792017 0.207983 0.500000 Zr\n0.207983 0.792017 0.000000 Zr\n0.710593 0.710593 0.028186 Rh\n0.710593 0.710593 0.471814 Rh\n0.289407 0.289407 0.971814 Rh\n0.289407 0.289407 0.528186 Rh\n0.026302 0.493448 0.750000 Rh\n0.973698 0.506552 0.250000 Rh\n0.013598 0.013598 0.250000 Rh\n0.986402 0.986402 0.750000 Rh\n0.493448 0.026302 0.750000 Rh\n0.506552 0.973698 0.250000 Rh\n",
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{
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"created_at": "2022-09-04T14:35:56.490414Z",
"updated_at": "2022-09-04T14:35:56.490439Z",
"structure_string": "Li8 Si8\n1.0\n5.066658 0.000000 2.200771\n2.533328 7.328191 1.100386\n-0.386242 0.000000 7.821880\nLi Si\n8 8\ndirect\n0.673389 0.153913 0.000912 Li\n0.828212 0.346087 0.499088 Li\n0.325699 0.500912 0.846087 Li\n0.326612 0.846087 0.999088 Li\n0.171789 0.653913 0.500912 Li\n0.327303 0.000912 0.346087 Li\n0.674303 0.499088 0.153913 Li\n0.672698 0.999088 0.653913 Li\n0.328291 0.300170 0.581474 Si\n0.909765 0.918526 0.300170 Si\n0.671710 0.699830 0.418526 Si\n0.209933 0.199830 0.918526 Si\n0.128460 0.581474 0.199830 Si\n0.090236 0.081474 0.699830 Si\n0.871541 0.418526 0.800170 Si\n0.790068 0.800170 0.081474 Si\n",
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{
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]
}