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{
"id": "jvasp-14619",
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{
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"structure_string": "Mn6 O5 F7\n1.0\n5.592396 0.005298 -0.027405\n1.662279 5.358618 -0.044225\n2.051859 1.519982 6.755423\nMn O F\n6 5 7\ndirect\n0.666522 0.712143 0.837919 Mn\n0.357795 0.322254 0.669935 Mn\n0.669135 0.622164 0.310358 Mn\n0.309180 0.333740 0.171892 Mn\n0.985659 0.007519 0.495384 Mn\n0.991666 0.022177 0.002649 Mn\n0.654148 0.038487 0.666186 O\n0.963568 0.339431 0.327823 O\n0.432718 0.412116 0.376971 O\n0.770208 0.792362 0.031678 O\n0.230804 0.234900 0.959979 O\n0.058945 0.637957 0.659450 F\n0.356741 0.932347 0.340284 F\n0.886231 0.867967 0.310283 F\n0.585058 0.582104 0.637303 F\n0.106344 0.097171 0.696878 F\n0.291988 0.711906 0.004004 F\n0.683302 0.333259 0.001025 F\n",
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{
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"structure_string": "Ca2 Ni2 P4 O14\n1.0\n6.415412 0.001241 0.250216\n0.701924 5.949435 2.606828\n-0.030286 0.016003 6.506179\nCa Ni P O\n2 2 4 14\ndirect\n0.127343 0.738717 0.801606 Ca\n0.872656 0.261282 0.198396 Ca\n0.354331 0.898974 0.220189 Ni\n0.645668 0.101025 0.779813 Ni\n0.375469 0.362435 0.324215 P\n0.624530 0.637563 0.675787 P\n0.859757 0.766230 0.254791 P\n0.140242 0.233769 0.745211 P\n0.730494 0.796708 0.745224 O\n0.269504 0.203290 0.254778 O\n0.326419 0.049695 0.864525 O\n0.774220 0.598535 0.484677 O\n0.938843 0.618303 0.134772 O\n0.621247 0.397253 0.853530 O\n0.378751 0.602746 0.146471 O\n0.409098 0.744424 0.562006 O\n0.590901 0.255575 0.437995 O\n0.031162 0.886612 0.304539 O\n0.968836 0.113387 0.695463 O\n0.225779 0.401464 0.515324 O\n0.061156 0.381696 0.865230 O\n0.673580 0.950304 0.135477 O\n",
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{
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"structure_string": "Dy4 Mn4 O12\n1.0\n5.270462 0.000000 0.000000\n-0.000000 5.661146 0.000000\n0.000000 0.000000 7.559500\nDy Mn O\n4 4 12\ndirect\n0.019318 0.925293 0.750000 Dy\n0.519318 0.574708 0.250000 Dy\n0.480682 0.425293 0.750000 Dy\n0.980682 0.074708 0.250000 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.608723 0.034809 0.750000 O\n0.108723 0.465191 0.250000 O\n0.695983 0.309024 0.054790 O\n0.195983 0.190976 0.945210 O\n0.804016 0.809024 0.445210 O\n0.195983 0.190976 0.554789 O\n0.304017 0.690977 0.945210 O\n0.804016 0.809024 0.054790 O\n0.891277 0.534809 0.750000 O\n0.695983 0.309024 0.445210 O\n0.304017 0.690977 0.554789 O\n0.391277 0.965192 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:15.596795Z",
"updated_at": "2022-09-04T14:37:15.596815Z",
"structure_string": "Ca4 Fe4 O10\n1.0\n0.000000 5.308825 -0.000317\n3.770691 0.000000 0.000000\n0.000000 -0.000116 -10.141479\nCa Fe O\n4 4 10\ndirect\n0.806170 0.500000 0.866112 Ca\n0.193831 0.500000 0.133887 Ca\n0.306168 0.500000 0.633886 Ca\n0.693831 0.500000 0.366115 Ca\n0.782061 0.000000 0.618044 Fe\n0.217939 0.000000 0.381957 Fe\n0.717943 0.000000 0.118046 Fe\n0.282057 0.000000 0.881954 Fe\n0.792119 0.500000 0.604815 O\n0.076897 0.000000 0.715395 O\n0.292122 0.500000 0.895184 O\n0.707879 0.500000 0.104816 O\n0.500000 0.000000 0.500000 O\n0.423101 0.000000 0.215393 O\n0.923102 0.000000 0.284605 O\n0.000000 0.000000 0.000000 O\n0.576899 0.000000 0.784607 O\n0.207880 0.500000 0.395186 O\n",
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{
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"structure_string": "Ti1 Be2 P1\n1.0\n-1.700479 1.700479 3.900414\n1.700479 -1.700479 3.900414\n1.700479 1.700479 -3.900414\nTi Be P\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 P\n",
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"structure_string": "Li3 Nb3 Te1 O12\n1.0\n5.156774 -0.003346 -0.002095\n0.022623 5.507440 0.014613\n0.026045 0.599437 7.547000\nLi Nb Te O\n3 3 1 12\ndirect\n0.502623 0.002645 0.753435 Li\n0.492623 0.988081 0.251948 Li\n0.003823 0.500550 0.744220 Li\n0.498358 0.561327 0.530218 Nb\n0.493247 0.569519 0.035063 Nb\n0.998404 0.064046 0.528735 Nb\n0.000991 0.079873 0.036017 Te\n0.305208 0.267915 0.112643 O\n0.692251 0.275261 0.613861 O\n0.177539 0.402934 0.503168 O\n0.820375 0.392011 0.976229 O\n0.608743 0.602315 0.290765 O\n0.810400 0.779859 0.615915 O\n0.204987 0.797670 0.112373 O\n0.136013 0.104396 0.798037 O\n0.325907 0.914962 0.488858 O\n0.694126 0.904602 0.979433 O\n0.371159 0.608940 0.797567 O\n0.865231 0.085544 0.281930 O\n",
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"structure_string": "Ta1 C1\n1.0\n2.746639 -0.000000 1.585772\n0.915546 2.589556 1.585772\n-0.000000 -0.000000 3.171546\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.499999 C\n",
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"structure_string": "Lu4 H8 Cl4 O8\n1.0\n12.601651 0.000000 0.000000\n0.000000 3.486115 -0.000000\n0.000000 -0.000000 6.161934\nLu H Cl O\n4 8 4 8\ndirect\n0.051657 0.749999 0.249677 Lu\n0.551658 0.749999 0.250323 Lu\n0.448343 0.249999 0.749676 Lu\n0.948342 0.249999 0.750323 Lu\n0.620270 0.749999 0.810533 H\n0.120271 0.749999 0.689466 H\n0.654650 0.249999 0.545946 H\n0.154650 0.249999 0.954052 H\n0.879730 0.249999 0.310533 H\n0.379729 0.249999 0.189467 H\n0.845349 0.749999 0.045946 H\n0.345349 0.749999 0.454053 H\n0.712325 0.249999 0.115881 Cl\n0.212325 0.249999 0.384118 Cl\n0.787674 0.749999 0.615881 Cl\n0.287675 0.749999 0.884117 Cl\n0.547800 0.749999 0.869980 O\n0.080207 0.249999 0.001387 O\n0.452200 0.249999 0.130019 O\n0.952200 0.249999 0.369981 O\n0.580208 0.249999 0.498613 O\n0.419793 0.749999 0.501387 O\n0.047801 0.749999 0.630019 O\n0.919792 0.749999 0.998612 O\n",
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{
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}