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{
"id": "jvasp-122039",
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"structure_string": "Sm2 Mn2 Fe15\n1.0\n6.233756 0.027801 0.800117\n0.707495 6.193540 0.800117\n0.031019 0.027801 6.284817\nSm Mn Fe\n2 2 15\ndirect\n0.654465 0.654464 0.654465 Sm\n0.345537 0.345536 0.345536 Sm\n0.909197 0.909195 0.909196 Mn\n0.090805 0.090805 0.090805 Mn\n0.663927 0.663926 0.152894 Fe\n0.336075 0.847106 0.336075 Fe\n0.847108 0.336074 0.336075 Fe\n0.336075 0.336074 0.847107 Fe\n0.291958 0.708043 0.000000 Fe\n0.708043 -0.000000 0.291958 Fe\n0.291958 -0.000000 0.708043 Fe\n0.152894 0.663926 0.663926 Fe\n0.000001 0.708043 0.291958 Fe\n0.708043 0.291957 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.291957 0.708043 Fe\n0.663927 0.152893 0.663926 Fe\n",
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{
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"structure_string": "Ce4 Zn12\n1.0\n4.591180 -0.000000 0.000000\n0.000000 6.510742 0.000000\n0.000000 -0.000000 10.329809\nCe Zn\n4 12\ndirect\n0.250000 0.250233 0.650177 Ce\n0.250000 0.750232 0.849823 Ce\n0.750000 0.749767 0.349823 Ce\n0.750000 0.249767 0.150177 Ce\n0.250000 0.556575 0.130846 Zn\n0.250000 0.056575 0.369154 Zn\n0.750000 0.443424 0.869154 Zn\n0.750000 0.943424 0.630846 Zn\n0.250000 0.942995 0.131176 Zn\n0.250000 0.442995 0.368824 Zn\n0.750000 0.057004 0.868824 Zn\n0.750000 0.557004 0.631176 Zn\n0.250000 0.249763 0.952254 Zn\n0.250000 0.749763 0.547746 Zn\n0.750000 0.750237 0.047746 Zn\n0.750000 0.250237 0.452254 Zn\n",
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{
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"updated_at": "2022-09-04T14:38:54.034081Z",
"structure_string": "Sr4 H4 N4\n1.0\n3.950152 -0.000000 0.000000\n0.000000 5.599184 0.000000\n0.000000 -0.000000 7.526595\nSr H N\n4 4 4\ndirect\n0.750000 0.190233 0.351821 Sr\n0.750000 0.309767 0.851821 Sr\n0.250000 0.690232 0.148179 Sr\n0.250000 0.809767 0.648178 Sr\n0.250000 0.106382 0.016240 H\n0.250000 0.393617 0.516239 H\n0.750000 0.606382 0.483760 H\n0.750000 0.893617 0.983760 H\n0.250000 0.235296 0.115413 N\n0.250000 0.264704 0.615412 N\n0.750000 0.735296 0.384587 N\n0.750000 0.764704 0.884587 N\n",
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{
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"updated_at": "2022-09-04T14:38:54.823807Z",
"structure_string": "Na29\n1.0\n10.479629 -0.000000 -3.705108\n-5.239815 9.075625 -3.705108\n-0.000000 -0.000000 11.115325\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.810116 0.184865 0.810116 Na\n0.316530 0.316530 0.722519 Na\n0.000000 0.405989 0.683471 Na\n0.405989 0.000000 0.683471 Na\n0.000000 0.000000 0.640087 Na\n0.625252 0.815136 0.625252 Na\n0.815136 0.625251 0.625251 Na\n0.277482 0.594011 0.594011 Na\n0.594011 0.277481 0.594011 Na\n0.000000 0.683471 0.405990 Na\n0.683470 0.000000 0.405989 Na\n0.000000 0.189884 0.374749 Na\n0.184865 0.810116 0.810116 Na\n0.189884 0.000000 0.374749 Na\n0.316530 0.722519 0.316530 Na\n0.722519 0.316530 0.316530 Na\n0.594011 0.594011 0.277481 Na\n0.000000 0.374749 0.189884 Na\n0.374749 0.000000 0.189884 Na\n0.810117 0.810116 0.184865 Na\n0.405990 0.683470 0.000000 Na\n0.000000 0.640087 0.000000 Na\n0.683471 0.405989 0.000000 Na\n0.189884 0.374749 0.000000 Na\n0.374749 0.189884 0.000000 Na\n0.640087 0.000000 -0.000000 Na\n0.359913 0.359913 0.359913 Na\n0.625252 0.625251 0.815136 Na\n",
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{
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"created_at": "2022-09-04T14:38:54.812887Z",
"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
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{
"id": "jvasp-122031",
"created_at": "2022-09-04T14:38:54.800256Z",
"updated_at": "2022-09-04T14:38:54.800285Z",
"structure_string": "Sr4 O8\n1.0\n4.409237 0.000000 0.000000\n0.000000 4.922340 0.000000\n-0.000000 -0.000000 8.503524\nSr O\n4 8\ndirect\n0.751249 0.750000 0.125014 Sr\n0.748752 0.750000 0.625013 Sr\n0.248751 0.250000 0.874986 Sr\n0.251249 0.250000 0.374986 Sr\n0.424051 0.750000 0.374282 O\n0.075949 0.750000 0.874282 O\n0.575949 0.250000 0.625717 O\n-0.075949 0.250000 0.125717 O\n0.077847 0.750000 0.375734 O\n0.422154 0.750000 0.875734 O\n0.922154 0.250000 0.624265 O\n0.577847 0.250000 0.124266 O\n",
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{
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"created_at": "2022-09-04T14:38:51.881106Z",
"updated_at": "2022-09-04T14:38:51.881117Z",
"structure_string": "Cu3 Sn1 P4 O16\n1.0\n6.015109 -0.000000 0.000000\n0.000000 4.936217 0.219020\n-0.000000 0.016040 9.909419\nCu Sn P O\n3 1 4 16\ndirect\n0.500000 0.870901 0.306239 Cu\n0.500000 0.653664 0.809785 Cu\n-0.000000 0.369302 0.199335 Cu\n-0.000000 0.062487 0.707093 Sn\n-0.000000 0.888385 0.393497 P\n-0.000000 0.590154 0.903724 P\n0.500000 0.422029 0.109179 P\n0.500000 0.104321 0.592955 P\n0.706510 0.250908 0.653697 O\n-0.000000 0.199567 0.373507 O\n-0.000000 0.289283 0.874283 O\n0.299396 0.264262 0.172057 O\n0.700604 0.264262 0.172057 O\n0.500000 0.399131 0.953362 O\n-0.000000 0.629106 0.054494 O\n0.500000 0.799963 0.633438 O\n0.192754 0.757063 0.828609 O\n0.500000 0.727346 0.134303 O\n0.293490 0.250908 0.653697 O\n0.798548 0.749274 0.329027 O\n0.201452 0.749274 0.329027 O\n-0.000000 0.820358 0.549561 O\n0.807246 0.757063 0.828609 O\n0.500000 0.130995 0.438464 O\n",
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{
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"created_at": "2022-09-04T14:38:54.728994Z",
"updated_at": "2022-09-04T14:38:54.729012Z",
"structure_string": "La6 Al2 O12\n1.0\n7.527890 -0.004024 0.000000\n-1.683141 7.337314 0.000000\n-0.000000 -0.000000 5.650887\nLa Al O\n6 2 12\ndirect\n0.085197 0.300370 0.468124 La\n0.300370 0.085197 0.968125 La\n0.606144 0.393856 0.432541 La\n0.393856 0.606144 0.932541 La\n0.699630 0.914803 0.468124 La\n0.914803 0.699630 0.968125 La\n0.807187 0.192813 0.007325 Al\n0.192813 0.807187 0.507325 Al\n0.405865 0.889655 0.658900 O\n0.889656 0.405866 0.158900 O\n0.049957 0.950042 0.618507 O\n0.213147 0.786853 0.194378 O\n0.786853 0.213147 0.694378 O\n0.352176 0.329704 0.703576 O\n0.594135 0.110345 0.158900 O\n0.110344 0.594134 0.658900 O\n0.647825 0.670296 0.203576 O\n0.329704 0.352175 0.203576 O\n0.950043 0.049958 0.118507 O\n0.670296 0.647824 0.703576 O\n",
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"structure_string": "Li4 Fe2 B4 O12\n1.0\n4.014286 0.000000 2.317649\n1.338095 9.826797 2.317648\n0.000000 0.000000 4.635298\nLi Fe B O\n4 2 4 12\ndirect\n0.904242 0.287276 0.904242 Li\n0.404241 0.787276 0.404242 Li\n0.595759 0.212724 0.595759 Li\n0.095758 0.712724 0.095759 Li\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.202504 0.392486 0.202505 B\n0.702504 0.892487 0.702506 B\n0.297496 0.107514 0.297496 B\n0.797496 0.607514 0.797496 B\n0.740739 0.884969 0.984227 O\n0.240739 0.384969 0.484226 O\n0.984226 0.884969 0.390067 O\n0.484226 0.384969 0.890067 O\n0.515774 0.615031 0.109934 O\n0.890067 0.384969 0.240739 O\n0.759261 0.615031 0.515775 O\n0.259261 0.115031 0.015774 O\n0.390066 0.884969 0.740740 O\n0.609934 0.115031 0.259261 O\n0.015774 0.115031 0.609934 O\n0.109933 0.615031 0.759262 O\n",
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"structure_string": "Li3 Cr5 O8\n1.0\n5.102306 0.010092 2.930251\n1.700998 4.810429 2.930251\n0.014244 0.010092 5.883850\nLi Cr O\n3 5 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500001 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500000 -0.000000 Cr\n0.500000 -0.000001 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.742044 0.742043 0.742043 O\n0.250409 0.250408 0.737180 O\n0.250409 0.737179 0.250408 O\n0.737180 0.250408 0.250408 O\n0.262821 0.749591 0.749591 O\n0.749592 0.262820 0.749591 O\n0.749592 0.749591 0.262820 O\n0.257957 0.257956 0.257956 O\n",
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"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.793402 -0.016047 0.159002\n3.010841 4.110386 -2.761906\n-0.122076 -0.016063 5.794302\nLi V Cr O\n2 2 2 8\ndirect\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500001 0.500000 Li\n0.130851 0.250000 0.119148 V\n0.869150 0.750000 0.880847 V\n0.499999 0.499999 -0.000001 Cr\n0.499999 0.000001 0.500001 Cr\n0.258870 0.492613 0.233753 O\n0.741140 -0.007387 0.251484 O\n0.258858 0.007389 0.748518 O\n0.741127 0.507387 0.766246 O\n0.264618 0.985986 0.249402 O\n0.736582 0.514015 0.249395 O\n0.735380 0.014014 0.750598 O\n0.263414 0.485987 0.750605 O\n",
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"updated_at": "2022-09-04T14:38:54.551044Z",
"structure_string": "Mn2 V2 P4 O16\n1.0\n4.779385 0.016395 -0.000008\n-0.245145 9.806703 0.000027\n0.000012 -0.000017 5.805997\nMn V P O\n2 2 4 16\ndirect\n0.929474 0.276598 0.250000 Mn\n0.070525 0.723402 0.750001 Mn\n0.436945 0.223515 0.750000 V\n0.563055 0.776484 0.250000 V\n0.396058 0.088063 0.250000 P\n0.603940 0.911937 0.750001 P\n0.876790 0.408207 0.750000 P\n0.123209 0.591791 0.250000 P\n0.717019 0.333424 0.545860 O\n0.717018 0.333424 0.954141 O\n0.743349 0.837480 0.961328 O\n0.743349 0.837481 0.538673 O\n0.256651 0.162518 0.461324 O\n0.256652 0.162518 0.038677 O\n0.831072 0.560948 0.750000 O\n0.287095 0.890689 0.750001 O\n0.811992 0.622202 0.250000 O\n0.188010 0.377797 0.750001 O\n0.282981 0.666574 0.045862 O\n0.712902 0.109310 0.250000 O\n0.321883 0.935559 0.250000 O\n0.678117 0.064441 0.750000 O\n0.168925 0.439051 0.250000 O\n0.282981 0.666574 0.454138 O\n",
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]
}