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{
"id": "jvasp-98645",
"created_at": "2022-09-04T14:35:59.933448Z",
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"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
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{
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"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.850943 0.121731 0.086077\n3.030894 5.006200 0.086077\n3.030894 1.749888 4.691198\nLi Fe Cu O\n2 3 1 8\ndirect\n0.124263 0.124263 0.124263 Li\n0.875735 0.875737 0.875739 Li\n-0.000001 0.500000 0.500001 Fe\n0.499999 -0.000000 0.500001 Fe\n0.499999 0.500000 0.000001 Fe\n0.499999 0.500000 0.500001 Cu\n0.263229 0.263230 0.263231 O\n0.252306 0.252307 0.712238 O\n0.252306 0.712238 0.252308 O\n0.712237 0.252306 0.252308 O\n0.287761 0.747693 0.747694 O\n0.747692 0.287762 0.747694 O\n0.747692 0.747693 0.287764 O\n0.736768 0.736770 0.736771 O\n",
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{
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"created_at": "2022-09-04T14:36:50.535815Z",
"updated_at": "2022-09-04T14:36:50.535838Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.974202 -0.000000 2.871856\n1.658068 4.689722 2.871856\n0.000000 -0.000000 5.743713\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000001 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.875000 0.875000 0.875001 Si\n0.125000 0.125000 0.125000 Si\n0.755474 0.755474 0.755475 O\n0.244526 0.244526 0.766421 O\n0.244526 0.766421 0.244526 O\n0.766421 0.244526 0.244527 O\n0.755474 0.233579 0.755474 O\n0.233579 0.755474 0.755474 O\n0.244526 0.244526 0.244526 O\n0.755474 0.755474 0.233580 O\n",
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{
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"updated_at": "2022-09-04T14:38:43.910916Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
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{
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"created_at": "2022-09-04T14:37:40.369861Z",
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"structure_string": "Mg8 B16 C16\n1.0\n7.215864 0.001461 0.000000\n-1.028347 7.142212 -0.000000\n0.000000 -0.000000 7.428011\nMg B C\n8 16 16\ndirect\n0.152843 0.847156 0.000000 Mg\n0.847156 0.152843 0.000000 Mg\n0.652843 0.347156 0.500000 Mg\n0.279754 0.279754 0.989461 Mg\n0.220246 0.220246 0.489461 Mg\n0.779753 0.779754 0.510539 Mg\n0.720245 0.720245 0.010539 Mg\n0.347156 0.652843 0.500000 Mg\n0.411733 0.411733 0.724723 B\n0.088267 0.088267 0.224723 B\n0.911732 0.911733 0.775277 B\n0.588266 0.588266 0.275277 B\n0.531495 0.786827 0.755579 B\n0.655774 0.155774 0.750000 B\n0.155774 0.655774 0.750000 B\n0.344225 0.844225 0.250000 B\n0.213172 0.468504 0.244421 B\n0.286827 0.031496 0.744421 B\n0.968503 0.713172 0.255579 B\n0.468504 0.213173 0.244421 B\n0.786827 0.531496 0.755579 B\n0.713172 0.968504 0.255579 B\n0.031496 0.286827 0.744421 B\n0.844225 0.344225 0.250000 B\n0.079336 0.079336 0.768297 C\n0.420664 0.420664 0.268297 C\n0.579335 0.579336 0.731703 C\n0.920663 0.920664 0.231703 C\n0.823285 0.323285 0.750000 C\n0.323285 0.823285 0.750000 C\n0.176714 0.676715 0.250000 C\n0.449885 0.200926 0.724270 C\n0.799073 0.550115 0.275730 C\n0.700926 0.949885 0.775729 C\n0.050115 0.299073 0.224270 C\n0.550114 0.799073 0.275730 C\n0.200926 0.449885 0.724270 C\n0.299073 0.050115 0.224270 C\n0.676714 0.176715 0.250000 C\n0.949884 0.700926 0.775729 C\n",
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{
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"created_at": "2022-09-04T14:36:06.182911Z",
"updated_at": "2022-09-04T14:36:06.182936Z",
"structure_string": "B2 N2\n1.0\n1.255459 -2.174557 -0.000000\n1.255459 2.174557 0.000000\n0.000000 -0.000000 7.011574\nB N\n2 2\ndirect\n0.333299 0.666702 0.250000 B\n0.666702 0.333299 0.750000 B\n-0.000030 0.000030 0.250000 N\n0.000030 -0.000030 0.750000 N\n",
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{
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"created_at": "2022-09-04T14:37:36.929836Z",
"updated_at": "2022-09-04T14:37:36.929863Z",
"structure_string": "Pu4 B16\n1.0\n6.982364 -0.000000 -0.000000\n0.000000 6.982364 -0.000000\n-0.000000 -0.000000 3.926482\nPu B\n4 16\ndirect\n0.189866 0.689866 0.000000 Pu\n0.689866 0.810134 0.000000 Pu\n0.310134 0.189866 0.000000 Pu\n0.810134 0.310134 0.000000 Pu\n0.179416 0.961390 0.500000 B\n0.038610 0.179416 0.500000 B\n0.413529 0.913529 0.500000 B\n0.913529 0.586470 0.500000 B\n0.086471 0.413529 0.500000 B\n0.586470 0.086471 0.500000 B\n0.500000 0.500000 0.200429 B\n0.500000 0.500000 0.799570 B\n0.820584 0.038610 0.500000 B\n0.000000 0.000000 0.200429 B\n0.461390 0.679415 0.500000 B\n0.538609 0.320584 0.500000 B\n0.679415 0.538609 0.500000 B\n0.320584 0.461390 0.500000 B\n0.000000 0.000000 0.799570 B\n0.961390 0.820584 0.500000 B\n",
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{
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"structure_string": "Cr2 O4\n1.0\n0.000000 0.000000 2.919078\n4.435608 -0.000000 0.000000\n-0.000000 4.435608 0.000000\nCr O\n2 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.197020 0.802980 O\n0.500000 0.802980 0.197020 O\n0.000000 0.302980 0.302980 O\n0.000000 0.697020 0.697020 O\n",
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{
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"structure_string": "Cr2 O4\n1.0\n4.435608 0.000000 0.000000\n-0.000000 4.435608 0.000000\n0.000000 0.000000 2.919096\nCr O\n2 4\ndirect\n0.500000 0.500000 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.697020 0.697020 0.000000 O\n0.197020 0.802981 0.500001 O\n0.302980 0.302980 0.000000 O\n0.802981 0.197020 0.500001 O\n",
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{
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"structure_string": "Mn1 Be2 Cr1\n1.0\n-1.891657 1.891657 2.675089\n1.891657 -1.891657 2.675089\n1.891657 1.891657 -2.675089\nMn Be Cr\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cr\n",
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{
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"created_at": "2022-09-04T14:37:00.520515Z",
"updated_at": "2022-09-04T14:37:00.520542Z",
"structure_string": "Li2 Fe5 O10\n1.0\n4.948109 -0.083365 -0.108416\n0.890898 4.813962 -0.011812\n2.278010 1.893578 6.763661\nLi Fe O\n2 5 10\ndirect\n0.503812 0.759005 0.427839 Li\n0.496189 0.240994 0.572161 Li\n0.000557 0.894113 0.685351 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.993018 0.312692 0.892809 Fe\n0.006983 0.687307 0.107191 Fe\n-0.000557 0.105887 0.314649 Fe\n0.217878 0.338433 0.063244 O\n0.761694 0.213702 0.764397 O\n0.792948 0.453540 0.324726 O\n0.207053 0.546460 0.675273 O\n0.767457 0.893575 0.531177 O\n0.782123 0.661567 0.936756 O\n0.232544 0.106424 0.468823 O\n0.212155 0.957893 0.860909 O\n0.238307 0.786297 0.235602 O\n0.787846 0.042107 0.139090 O\n",
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"created_at": "2022-09-04T14:36:11.774003Z",
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"structure_string": "Th1 Cr2 B6\n1.0\n3.007099 0.000000 0.891780\n1.150186 5.167897 1.637435\n-0.007676 0.000001 5.541772\nTh Cr B\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Th\n0.845480 0.654520 0.654520 Cr\n0.154520 0.345480 0.345480 Cr\n0.696554 0.539833 0.067060 B\n0.303446 0.460167 0.932941 B\n0.303447 0.932941 0.460167 B\n0.500000 0.359677 0.640323 B\n0.500000 0.640323 0.359677 B\n0.696553 0.067059 0.539833 B\n",
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]
}