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{
"id": "jvasp-113071",
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"structure_string": "Na2 Pr2 Ti2 Nb2 O12 F2\n1.0\n6.494643 -0.006421 -3.440972\n-2.139479 5.920342 -3.793797\n-0.001198 0.006421 7.349876\nNa Pr Ti Nb O F\n2 2 2 2 12 2\ndirect\n-0.000000 -0.000000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.499999 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.183601 0.418435 0.355523 O\n0.562911 0.828076 0.144476 O\n0.183600 0.828076 0.765165 O\n0.562911 0.418435 0.734834 O\n0.181819 0.431819 0.750000 O\n0.577573 0.827573 0.750000 O\n0.437088 0.581565 0.265166 O\n0.437087 0.171923 0.855523 O\n0.816399 0.171923 0.234834 O\n0.818180 0.568180 0.250000 O\n0.422426 0.172426 0.250000 O\n0.816398 0.581565 0.644477 O\n0.118533 0.868533 0.249999 F\n0.881466 0.131467 0.750000 F\n",
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"structure_string": "Na1 Pt1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nNa Pt O\n1 1 1\ndirect\n0.302617 0.002190 0.000000 Na\n-0.033312 -0.073324 0.000000 Pt\n0.002722 0.289352 0.000000 O\n",
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{
"id": "jvasp-112112",
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"updated_at": "2022-09-04T14:38:43.825632Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.747689 -0.066036 -0.467047\n-0.771591 4.272036 -0.206411\n0.115831 0.025218 11.197997\nCd H C O\n1 10 7 4\ndirect\n0.596912 0.768067 0.800621 Cd\n0.848993 0.552612 0.398370 H\n0.969401 0.516498 0.173523 H\n0.432531 0.518078 0.219853 H\n0.254319 0.032181 0.330832 H\n0.795072 0.027529 0.282938 H\n0.897645 0.973121 0.071509 H\n0.352170 0.971858 0.116625 H\n0.654925 0.030322 0.492187 H\n0.108815 0.041734 0.548625 H\n0.303654 0.544727 0.451509 H\n0.869131 0.370875 0.636676 C\n0.913888 0.192061 0.522304 C\n0.037750 0.393390 0.420656 C\n0.059980 0.186905 0.308258 C\n0.163649 0.364189 0.198334 C\n0.163743 0.130676 0.092143 C\n0.272468 0.254492 0.974663 C\n0.477291 0.522215 0.974480 O\n0.634209 0.250171 0.703248 O\n0.053740 0.649114 0.664157 O\n0.166108 0.067734 0.879259 O\n",
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{
"id": "jvasp-113980",
"created_at": "2022-09-04T14:38:43.824427Z",
"updated_at": "2022-09-04T14:38:43.824447Z",
"structure_string": "Na2 B1 C2\n1.0\n4.437760 0.000000 -0.000000\n-2.218880 3.843213 0.000000\n-0.000000 0.000000 4.188707\nNa B C\n2 1 2\ndirect\n0.333333 0.666667 0.262785 Na\n0.666666 0.333333 0.737216 Na\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.340317 C\n0.000000 0.000000 0.659684 C\n",
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{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
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{
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"created_at": "2022-09-04T14:38:43.821451Z",
"updated_at": "2022-09-04T14:38:43.821476Z",
"structure_string": "Ge1 C2\n1.0\n4.557098 -0.192483 -0.288034\n3.159185 -3.992321 0.093656\n0.545352 2.300662 -2.189187\nGe C\n1 2\ndirect\n0.914722 0.930291 0.089915 Ge\n0.110658 0.124904 0.561200 C\n0.686038 0.698308 0.117124 C\n",
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{
"id": "jvasp-112074",
"created_at": "2022-09-04T14:38:43.819389Z",
"updated_at": "2022-09-04T14:38:43.819419Z",
"structure_string": "H4 C2 S2 N4 O2\n1.0\n4.510686 -0.040841 0.094262\n1.730022 4.833942 0.894158\n0.093111 0.202992 7.110673\nH C S N O\n4 2 2 4 2\ndirect\n0.221408 0.756894 0.754992 H\n0.721413 0.756894 0.254994 H\n0.745886 0.782635 0.838813 H\n0.245890 0.782634 0.338814 H\n0.358602 0.134507 0.237972 C\n0.858598 0.134506 0.737972 C\n0.246254 0.467679 0.131538 S\n0.746251 0.467677 0.631538 S\n0.162202 0.963322 0.764136 N\n0.662207 0.963323 0.264137 N\n0.651840 -0.002702 0.815203 N\n0.151844 -0.002702 0.315204 N\n0.386412 0.074643 0.676618 O\n0.886415 0.074644 0.176617 O\n",
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{
"id": "jvasp-114956",
"created_at": "2022-09-04T14:38:43.817323Z",
"updated_at": "2022-09-04T14:38:43.817360Z",
"structure_string": "Ga1 I3\n1.0\n5.290353 0.000000 0.000000\n-2.645177 4.581580 -0.000000\n-0.000000 -0.000000 8.093947\nGa I\n1 3\ndirect\n0.666666 0.333333 0.000000 Ga\n0.333332 0.666667 0.670980 I\n0.000000 0.000000 0.000000 I\n0.333332 0.666667 0.329020 I\n",
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{
"id": "jvasp-112746",
"created_at": "2022-09-04T14:38:43.817319Z",
"updated_at": "2022-09-04T14:38:43.817338Z",
"structure_string": "Ba4 La2 Mn4 O14\n1.0\n5.592398 -0.000003 0.000030\n0.000021 10.434851 -2.795924\n-0.000030 0.000038 5.592329\nBa La Mn O\n4 2 4 14\ndirect\n-0.000000 0.363089 0.681525 Ba\n0.500000 0.363082 0.181523 Ba\n0.500000 0.636911 0.818476 Ba\n-0.000000 0.636918 0.318478 Ba\n-0.000000 0.000004 0.499993 La\n0.500000 -0.000004 0.000007 La\n-0.000000 0.814097 0.907067 Mn\n0.500000 0.185903 0.592934 Mn\n0.500000 0.814104 0.407073 Mn\n-0.000000 0.185896 0.092928 Mn\n0.250000 0.172628 0.336312 O\n0.749997 0.172622 0.836298 O\n0.249996 0.827379 0.663703 O\n0.750000 0.827372 0.163689 O\n0.250000 0.827372 0.163689 O\n0.750004 0.827378 0.663703 O\n0.999999 -0.000003 0.000019 O\n0.500000 0.370649 0.685296 O\n0.500000 0.629360 0.314717 O\n0.000000 0.629351 0.814705 O\n0.749999 0.172629 0.336311 O\n0.500001 0.000004 0.499982 O\n-0.000000 0.370640 0.185284 O\n0.250004 0.172622 0.836299 O\n",
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{
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"created_at": "2022-09-04T14:38:43.807567Z",
"updated_at": "2022-09-04T14:38:43.807583Z",
"structure_string": "Nb6 Se10 Br14\n1.0\n13.182626 0.000000 0.000000\n-0.000000 7.355514 2.397674\n0.000000 -0.337809 8.426090\nNb Se Br\n6 10 14\ndirect\n0.393184 0.519287 0.442396 Nb\n0.606816 0.480712 0.557604 Nb\n0.893184 0.480712 0.557604 Nb\n0.106816 0.519287 0.442396 Nb\n0.250000 0.898442 0.012677 Nb\n0.750000 0.101557 0.987323 Nb\n0.025947 0.697454 0.641292 Se\n0.525947 0.302545 0.358707 Se\n0.474053 0.697454 0.641292 Se\n0.529356 0.782719 0.366323 Se\n0.974053 0.302545 0.358707 Se\n0.029356 0.217281 0.633677 Se\n0.970644 0.782719 0.366323 Se\n0.750000 0.077772 0.264396 Se\n0.250000 0.922227 0.735604 Se\n0.470644 0.217281 0.633677 Se\n0.750000 0.700061 0.638728 Br\n0.250000 0.299938 0.361272 Br\n0.750000 0.203387 0.631276 Br\n0.250000 0.796612 0.368723 Br\n0.113154 0.115894 0.036096 Br\n0.886847 0.884105 0.963904 Br\n0.386846 0.115894 0.036096 Br\n0.113868 0.627858 0.091008 Br\n0.886132 0.372141 0.908992 Br\n0.613869 0.372141 0.908992 Br\n0.386132 0.627858 0.091008 Br\n0.250000 0.448396 0.694577 Br\n0.613154 0.884105 0.963904 Br\n0.750000 0.551603 0.305423 Br\n",
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"structure_string": "K2 Lu2 Ta4 O14\n1.0\n6.470355 0.000217 -3.750179\n-2.081582 6.045362 -3.879427\n0.011242 -0.000217 7.478584\nK Lu Ta O\n2 2 4 14\ndirect\n-0.000000 -0.000000 0.500000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Lu\n0.499999 -0.000000 0.499999 Lu\n0.500000 0.500000 0.499999 Ta\n0.500000 0.000000 -0.000000 Ta\n0.500000 0.500000 -0.000000 Ta\n-0.000000 0.500000 0.499999 Ta\n0.182939 0.821497 0.763756 O\n0.557741 0.419182 0.736242 O\n0.190917 0.440917 0.749999 O\n0.565676 0.815676 0.749999 O\n0.817060 0.580817 0.638558 O\n0.442258 0.178502 0.861440 O\n0.434323 0.184324 0.250000 O\n0.442258 0.580817 0.263756 O\n0.809082 0.559083 0.249999 O\n0.557741 0.821498 0.138558 O\n0.834830 0.084831 0.749999 O\n0.165169 0.915169 0.249999 O\n0.817060 0.178502 0.236243 O\n0.182939 0.419182 0.361441 O\n",
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"updated_at": "2022-09-04T14:38:43.804528Z",
"structure_string": "Li4 V6 O12\n1.0\n4.948832 -0.022917 0.653787\n-0.768218 6.495269 -0.797132\n0.032849 -0.080043 6.588369\nLi V O\n4 6 12\ndirect\n-0.000019 0.669869 0.669861 Li\n0.500019 0.169861 0.169870 Li\n-0.000034 0.330122 0.330149 Li\n0.500034 0.830147 0.830121 Li\n0.750009 0.249969 0.749972 V\n0.249993 0.750032 0.250029 V\n0.750002 0.907118 0.407116 V\n0.750002 0.592808 0.092806 V\n0.249998 0.092886 0.592886 V\n0.249997 0.407190 0.907190 V\n0.127421 0.031566 0.313436 O\n0.627420 0.531526 0.813378 O\n0.872585 0.968434 0.686573 O\n0.372574 0.468475 0.186615 O\n0.372578 0.813438 0.531563 O\n0.384754 0.132920 0.867131 O\n0.115253 0.367134 0.632917 O\n0.615254 0.867078 0.132872 O\n0.884739 0.632868 0.367083 O\n0.127425 0.686618 0.968473 O\n0.872580 0.313374 0.031531 O\n0.627415 0.186569 0.468438 O\n",
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}