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{
"id": "jvasp-26937",
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"structure_string": "K2 Sn1 H6 O6\n1.0\n5.327071 -0.079390 1.823421\n1.278111 5.172080 1.823421\n-0.102969 -0.079390 5.629559\nK Sn H O\n2 1 6 6\ndirect\n0.292316 0.292316 0.292316 K\n0.707684 0.707684 0.707684 K\n0.000000 0.000000 0.000000 Sn\n0.373169 0.810571 0.239051 H\n0.239051 0.373170 0.810571 H\n0.810571 0.239051 0.373170 H\n0.626830 0.189429 0.760949 H\n0.760949 0.626830 0.189429 H\n0.189429 0.760949 0.626831 H\n0.189225 0.802243 0.297612 O\n0.297612 0.189225 0.802243 O\n0.802242 0.297612 0.189225 O\n0.810775 0.197757 0.702388 O\n0.702388 0.810775 0.197757 O\n0.197757 0.702388 0.810775 O\n",
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{
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"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n6.283013 -0.000000 3.627498\n2.094338 5.923681 3.627498\n0.000000 0.000000 7.254998\nTb K Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.744362 0.255637 0.255638 Cl\n0.255637 0.255637 0.744363 Cl\n0.255637 0.744363 0.744363 Cl\n0.255637 0.744363 0.255638 Cl\n0.744362 0.255637 0.744363 Cl\n0.744363 0.744363 0.255638 Cl\n",
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{
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"structure_string": "Ca6 Dy2\n1.0\n7.507118 0.000000 0.000000\n-3.753560 6.501355 0.000000\n-0.000000 -0.000000 6.093734\nCa Dy\n6 2\ndirect\n0.170774 0.341546 0.250000 Ca\n0.658454 0.829226 0.250000 Ca\n0.170773 0.829226 0.250000 Ca\n0.829226 0.658453 0.750000 Ca\n0.341546 0.170774 0.750000 Ca\n0.829226 0.170774 0.750000 Ca\n0.333333 0.666666 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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{
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"structure_string": "Ce2 Be26\n1.0\n6.287692 -0.000000 3.630201\n2.095898 5.928095 3.630201\n-0.000000 0.000000 7.260403\nCe Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.749999 0.750000 Ce\n0.061794 0.710948 0.289052 Be\n0.210948 0.438206 0.561793 Be\n0.438207 0.561793 0.210948 Be\n0.561793 0.210948 0.438207 Be\n0.210948 0.561793 0.789051 Be\n0.210949 0.789051 0.438207 Be\n0.789052 0.561793 0.438207 Be\n0.289052 0.710948 0.938206 Be\n0.289052 0.061793 0.710948 Be\n0.061794 0.938206 0.710948 Be\n0.710948 0.938206 0.289052 Be\n0.938207 0.710948 0.061793 Be\n0.938207 0.289052 0.710948 Be\n0.061793 0.289052 0.938206 Be\n0.789052 0.438206 0.210948 Be\n0.438207 0.789051 0.561793 Be\n0.438207 0.210948 0.789051 Be\n0.561793 0.789051 0.210948 Be\n0.789052 0.210948 0.561793 Be\n0.561793 0.438206 0.789051 Be\n0.289052 0.938206 0.061793 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.710948 0.061793 0.938206 Be\n0.938206 0.061793 0.289052 Be\n0.710948 0.289052 0.061793 Be\n",
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{
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"updated_at": "2022-09-04T14:38:09.523576Z",
"structure_string": "Li4 Mn1 O1 F4\n1.0\n-0.000000 0.000000 3.989027\n3.393524 -3.393523 1.994514\n3.393523 3.393524 -1.994514\nLi Mn O F\n4 1 1 4\ndirect\n0.586260 0.203968 0.376488 Li\n0.209772 0.376488 0.796031 Li\n0.790229 0.623511 0.203968 Li\n0.413740 0.796031 0.623511 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 O\n0.106340 0.207680 0.420357 F\n0.314020 0.579642 0.207680 F\n0.685981 0.420357 0.792319 F\n0.893661 0.792319 0.579642 F\n",
"nsites": 10,
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"density_atomic": 0.10884320121697852,
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"formula_full": "Li4 Mn1 O1 F4",
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{
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"created_at": "2022-09-04T14:37:35.928138Z",
"updated_at": "2022-09-04T14:37:35.928159Z",
"structure_string": "Li4 Fe2 As2 C2 O14\n1.0\n0.000000 5.018637 -0.005231\n6.560819 0.000000 0.000000\n0.000000 -0.377462 -8.581615\nLi Fe As C O\n4 2 2 2 14\ndirect\n0.792964 0.482920 0.204025 Li\n0.792964 0.017080 0.204025 Li\n0.207037 0.517081 0.795974 Li\n0.207037 0.982920 0.795974 Li\n0.219944 0.250000 0.344786 Fe\n0.780057 0.750000 0.655213 Fe\n0.281021 0.750000 0.417660 As\n0.718980 0.250000 0.582339 As\n0.256968 0.250000 0.047810 C\n0.743033 0.750000 0.952189 C\n0.543965 0.750000 0.847146 O\n0.828109 0.044123 0.687333 O\n0.828109 0.455877 0.687333 O\n0.175984 0.750000 0.606488 O\n0.373926 0.250000 0.557235 O\n0.626075 0.750000 0.442765 O\n0.020239 0.250000 0.105145 O\n0.171892 0.544123 0.312667 O\n0.171892 0.955877 0.312667 O\n0.456036 0.250000 0.152853 O\n0.979762 0.750000 0.894854 O\n0.705576 0.750000 0.097225 O\n0.824017 0.250000 0.393512 O\n0.294425 0.250000 0.902774 O\n",
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{
"id": "jvasp-20834",
"created_at": "2022-09-04T14:38:30.848308Z",
"updated_at": "2022-09-04T14:38:30.848334Z",
"structure_string": "Rb4 B4 F16\n1.0\n5.554744 -0.000000 0.000000\n-0.000000 7.221382 0.000000\n0.000000 0.000000 9.034116\nRb B F\n4 4 16\ndirect\n0.250000 0.162245 0.815701 Rb\n0.749999 0.837755 0.184299 Rb\n0.749999 0.662245 0.684299 Rb\n0.250000 0.337755 0.315701 Rb\n0.250000 0.691650 0.935439 B\n0.250000 0.808349 0.435438 B\n0.749999 0.191651 0.564562 B\n0.749999 0.308349 0.064562 B\n0.542347 0.193827 0.076821 F\n0.042347 0.806172 0.923179 F\n0.250000 0.937885 0.317897 F\n0.749999 0.062114 0.682103 F\n0.749999 0.437885 0.182103 F\n0.250000 0.562114 0.817897 F\n0.250000 0.898268 0.573614 F\n0.042347 0.693827 0.423179 F\n0.749999 0.398268 0.926387 F\n0.250000 0.601732 0.073613 F\n0.957652 0.306172 0.576822 F\n0.457652 0.806172 0.923179 F\n0.957652 0.193827 0.076821 F\n0.542347 0.306172 0.576822 F\n0.749999 0.101732 0.426387 F\n0.457652 0.693827 0.423179 F\n",
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{
"id": "jvasp-97973",
"created_at": "2022-09-04T14:36:01.624990Z",
"updated_at": "2022-09-04T14:36:01.625021Z",
"structure_string": "Mg16 Si16 O48\n1.0\n18.372208 0.000000 0.012978\n0.000000 8.843102 0.000000\n0.006382 0.000000 5.199006\nMg Si O\n16 16 48\ndirect\n0.874295 0.846125 0.072122 Mg\n0.380251 0.011358 0.855483 Mg\n0.619749 0.511357 0.644519 Mg\n0.619749 0.988642 0.144518 Mg\n0.380251 0.488642 0.355483 Mg\n0.625353 0.153740 0.642763 Mg\n0.625354 0.346259 0.142762 Mg\n0.374646 0.846259 0.357239 Mg\n0.374646 0.653740 0.857239 Mg\n0.126649 0.513004 0.931222 Mg\n0.126649 0.986996 0.431221 Mg\n0.873351 0.486996 0.068779 Mg\n0.874295 0.653875 0.572123 Mg\n0.125705 0.153875 0.927879 Mg\n0.125705 0.346125 0.427878 Mg\n0.873351 0.013004 0.568780 Mg\n0.772994 0.339630 0.490804 Si\n0.473185 0.162956 0.306787 Si\n0.526815 0.662956 0.193214 Si\n0.526815 0.837044 0.693215 Si\n0.473185 0.337044 0.806787 Si\n0.772994 0.160370 0.990804 Si\n0.227006 0.839630 0.009197 Si\n0.227006 0.660369 0.509198 Si\n0.725955 0.839551 0.423551 Si\n0.725955 0.660448 0.923551 Si\n0.274045 0.160449 0.576451 Si\n0.274045 0.339551 0.076450 Si\n0.977475 0.158889 0.267351 Si\n0.022525 0.658889 0.232650 Si\n0.022525 0.841110 0.732650 Si\n0.977475 0.341111 0.767352 Si\n0.198962 0.799196 0.709357 O\n0.185969 0.510336 0.608051 O\n0.814031 0.010336 0.891951 O\n0.683939 0.158811 0.980593 O\n0.185969 0.989664 0.108050 O\n0.316061 0.658811 0.519409 O\n0.801038 0.299196 0.790645 O\n0.683939 0.341189 0.480592 O\n0.814031 0.489664 0.391950 O\n0.801038 0.200804 0.290644 O\n0.437931 0.662537 0.191442 O\n0.562069 0.337463 0.808559 O\n0.437931 0.837463 0.691443 O\n0.562069 0.162537 0.308559 O\n0.433737 0.483149 0.688888 O\n0.566263 0.983149 0.811114 O\n0.566263 0.516851 0.311114 O\n0.433737 0.016851 0.188887 O\n0.446633 0.191363 0.615883 O\n0.553367 0.691363 0.884119 O\n0.316061 0.841189 0.019409 O\n0.198962 0.700804 0.209357 O\n0.304558 0.289764 0.369794 O\n0.937420 -0.001343 0.247098 O\n0.695442 0.710236 0.630207 O\n0.065851 0.340260 0.760865 O\n0.934149 0.840260 0.739137 O\n0.934149 0.659740 0.239137 O\n0.065851 0.159740 0.260864 O\n0.937420 0.501343 0.747099 O\n0.062580 0.001343 0.752903 O\n0.062580 0.498657 0.252903 O\n0.553367 0.808637 0.384118 O\n0.945757 0.216391 0.554963 O\n0.054243 0.716391 0.945038 O\n0.054243 0.783609 0.445038 O\n0.945757 0.283609 0.054963 O\n0.185580 0.162211 0.585952 O\n0.814420 0.662211 0.914050 O\n0.814420 0.837789 0.414050 O\n0.185580 0.337789 0.085951 O\n0.314415 0.002166 0.540323 O\n0.685584 0.502165 0.959679 O\n0.685584 0.997834 0.459678 O\n0.314416 0.497834 0.040322 O\n0.304558 0.210236 0.869794 O\n0.695442 0.789764 0.130207 O\n0.446633 0.308637 0.115882 O\n",
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{
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"created_at": "2022-09-04T14:38:01.490837Z",
"updated_at": "2022-09-04T14:38:01.490858Z",
"structure_string": "Nb2 Cl8\n1.0\n5.994122 -0.000000 3.345485\n2.788278 5.860152 2.046820\n0.009646 -0.070905 7.025308\nNb Cl\n2 8\ndirect\n0.220178 -0.000000 -0.000000 Nb\n0.779822 -0.000000 -0.000000 Nb\n0.691326 0.776120 0.841230 Cl\n0.308675 0.223879 0.158769 Cl\n0.780719 0.257224 0.181337 Cl\n0.219282 0.742775 0.818663 Cl\n0.723848 0.752824 0.310639 Cl\n0.787311 0.247174 0.689360 Cl\n0.276154 0.247174 0.689360 Cl\n0.212690 0.752824 0.310639 Cl\n",
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{
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{
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}