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{
"id": "jvasp-9563",
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{
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"updated_at": "2022-09-04T14:38:01.448040Z",
"structure_string": "Si2 B2 O5\n1.0\n3.412691 0.000000 -0.000000\n0.000000 3.412691 0.000000\n-0.000000 0.000000 6.815687\nSi B O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.288759 B\n0.500000 0.500000 0.711241 B\n0.500000 0.000000 0.233587 O\n0.500000 0.000000 0.766413 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.233587 O\n0.000000 0.500000 0.766413 O\n",
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{
"id": "jvasp-13078",
"created_at": "2022-09-04T14:37:01.134096Z",
"updated_at": "2022-09-04T14:37:01.134132Z",
"structure_string": "Li4 B4 Se10\n1.0\n5.155472 -0.000000 1.172849\n2.462074 5.341732 1.094837\n-0.040563 0.056532 12.095642\nLi B Se\n4 4 10\ndirect\n0.856541 0.315707 0.931702 Li\n0.103951 0.184292 0.568298 Li\n0.143458 0.684292 0.068298 Li\n0.896048 0.815707 0.431703 Li\n0.307414 0.574117 0.707381 B\n0.588913 0.925882 0.792619 B\n0.692586 0.425882 0.292619 B\n0.411087 0.074118 0.207381 B\n0.733471 0.928889 0.939009 Se\n0.601369 0.571110 0.560991 Se\n0.076010 0.149080 0.340686 Se\n0.565775 0.350920 0.159314 Se\n0.758818 0.750000 0.250000 Se\n0.434224 0.649079 0.840686 Se\n0.241182 0.250000 0.750000 Se\n0.398630 0.428889 0.439009 Se\n0.923990 0.850919 0.659314 Se\n0.266529 0.071110 0.060991 Se\n",
"nsites": 18,
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"density": 4.288909699109625,
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{
"id": "jvasp-9566",
"created_at": "2022-09-04T14:37:13.112373Z",
"updated_at": "2022-09-04T14:37:13.112384Z",
"structure_string": "Mg4 Mn4 O10\n1.0\n3.608286 0.000000 0.000000\n0.000000 5.277247 0.000000\n0.000000 0.000000 10.417996\nMg Mn O\n4 4 10\ndirect\n0.500001 0.263672 0.349699 Mg\n0.500001 0.736313 0.150302 Mg\n0.500001 0.763672 0.650301 Mg\n0.500001 0.236313 0.849698 Mg\n0.000000 0.228790 0.616857 Mn\n0.000000 0.771200 0.883143 Mn\n0.000000 0.271199 0.116858 Mn\n0.000000 0.728790 0.383143 Mn\n0.500001 0.176940 0.655764 O\n0.000000 0.866575 0.561610 O\n0.500001 0.676940 0.344237 O\n0.500001 0.323052 0.155767 O\n0.000000 0.499994 0.750000 O\n0.000000 0.633413 0.061609 O\n0.000000 0.133412 0.938391 O\n0.000000 -0.000006 0.250000 O\n0.000000 0.366574 0.438391 O\n0.500001 0.823052 0.844234 O\n",
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{
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"created_at": "2022-09-04T14:37:29.391347Z",
"updated_at": "2022-09-04T14:37:29.391365Z",
"structure_string": "Se2 Cl2 O5\n1.0\n3.639838 -0.000000 -0.588558\n-0.095169 3.638593 -0.588558\n-0.152318 -0.156354 10.607281\nSe Cl O\n2 2 5\ndirect\n0.087564 0.087564 0.175127 Se\n0.912436 0.912436 0.824873 Se\n0.208006 0.208007 0.416012 Cl\n0.791993 0.791993 0.583987 Cl\n0.399966 0.899967 0.799932 O\n0.899967 0.399967 0.799932 O\n0.600034 0.100033 0.200068 O\n0.100033 0.600033 0.200067 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-10678",
"created_at": "2022-09-04T14:36:36.933292Z",
"updated_at": "2022-09-04T14:36:36.933317Z",
"structure_string": "Ca4 Al4 O10\n1.0\n4.986001 -0.000000 -1.687904\n-0.610526 5.101164 -1.803472\n-0.016642 -0.023367 8.159015\nCa Al O\n4 4 10\ndirect\n0.396707 0.867806 0.785251 Ca\n0.896710 0.417443 0.785252 Ca\n0.111458 0.582556 0.214748 Ca\n0.611458 0.132193 0.214749 Ca\n0.295632 0.176424 0.500000 Al\n0.795631 0.823575 0.500000 Al\n0.496895 0.500000 0.000000 Al\n0.996895 0.000000 0.000000 Al\n0.121794 0.198957 0.282150 O\n0.737143 0.241676 0.978166 O\n0.621791 0.583193 0.282148 O\n0.633049 0.114132 0.500000 O\n0.133048 0.885867 0.499999 O\n0.258977 0.763511 0.021834 O\n0.237143 0.236488 0.978165 O\n0.758976 0.758323 0.021834 O\n0.339644 0.416805 0.717852 O\n0.839643 0.801042 0.717849 O\n",
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{
"id": "jvasp-52941",
"created_at": "2022-09-04T14:36:37.711988Z",
"updated_at": "2022-09-04T14:36:37.712000Z",
"structure_string": "Sr2 B5 H2 O11\n1.0\n4.021415 4.054197 -3.124082\n-4.021415 4.054197 3.124082\n0.016811 0.000000 6.378080\nSr B H O\n2 5 2 11\ndirect\n0.838086 0.243831 0.086048 Sr\n0.243831 0.838087 0.913951 Sr\n0.749860 0.897658 0.743962 B\n0.897658 0.749860 0.256038 B\n0.653373 0.653373 0.500000 B\n0.809460 0.336791 0.496091 B\n0.336790 0.809460 0.503909 B\n0.301481 0.373652 0.744883 H\n0.373652 0.301482 0.255117 H\n0.497522 0.911251 0.665483 O\n0.911251 0.497523 0.334516 O\n0.899464 0.899464 -0.000000 O\n0.799668 0.693057 0.737061 O\n0.401203 0.690197 0.416209 O\n0.108137 0.825012 0.450104 O\n0.825012 0.108137 0.549896 O\n0.690197 0.401203 0.583791 O\n0.386151 0.243313 0.916092 O\n0.693057 0.799668 0.262939 O\n0.243313 0.386151 0.083908 O\n",
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{
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"created_at": "2022-09-04T14:37:18.691248Z",
"updated_at": "2022-09-04T14:37:18.691278Z",
"structure_string": "Ca5 Sc2 Co2 O12\n1.0\n6.334864 -0.055341 -0.325572\n-0.333856 6.375307 -0.195580\n-0.050608 0.076874 6.386375\nCa Sc Co O\n5 2 2 12\ndirect\n0.112045 0.743000 0.378809 Ca\n0.387954 0.121190 0.757001 Ca\n0.624388 0.888721 0.246766 Ca\n0.875610 0.253234 0.611280 Ca\n0.249999 0.616519 0.883481 Ca\n0.250000 0.253629 0.246371 Sc\n0.749999 0.740464 0.759536 Sc\n0.496182 0.502599 0.497860 Co\n0.003817 0.002140 0.997401 Co\n0.453846 0.786041 0.588745 O\n0.394945 0.558148 0.219346 O\n0.205675 0.413448 0.539062 O\n0.574694 0.454132 0.780410 O\n0.717319 0.030591 0.901770 O\n0.046152 0.911255 0.713960 O\n0.294324 0.960938 0.086552 O\n0.925304 0.719591 0.045868 O\n0.105054 0.280654 0.941853 O\n0.968555 0.072774 0.288934 O\n0.531444 0.211067 0.427227 O\n0.782679 0.598231 0.469409 O\n",
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{
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"created_at": "2022-09-04T14:35:53.938305Z",
"updated_at": "2022-09-04T14:35:53.938334Z",
"structure_string": "Li5 Co2 O2 F5\n1.0\n0.000000 -2.050259 -2.050259\n-0.000000 2.050259 -2.050259\n14.417815 -2.050259 -0.000000\nLi Co O F\n5 2 2 5\ndirect\n0.004610 0.995391 0.990782 Li\n0.281106 0.718895 0.437790 Li\n0.711449 0.288551 0.577102 Li\n0.142857 0.857143 0.714286 Li\n0.574266 0.425735 0.851470 Li\n0.425855 0.574146 0.148290 Co\n0.859860 0.140141 0.280281 Co\n0.932845 0.067155 0.134311 O\n0.352871 0.647130 0.294261 O\n0.505603 0.494398 0.988794 F\n0.780112 0.219889 0.439777 F\n0.211670 0.788331 0.576662 F\n0.642858 0.357143 0.714286 F\n0.074045 0.925956 0.851910 F\n",
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{
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"created_at": "2022-09-04T14:35:41.802758Z",
"updated_at": "2022-09-04T14:35:41.802777Z",
"structure_string": "Cu10 Se4 Cl4 O16\n1.0\n5.639756 0.016942 0.000000\n-0.594170 6.061659 0.000000\n0.000000 0.000000 13.675551\nCu Se Cl O\n10 4 4 16\ndirect\n0.990204 0.256161 0.502171 Cu\n0.546153 0.431024 0.188343 Cu\n0.953848 0.568975 0.688343 Cu\n-0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.490204 0.256161 0.997829 Cu\n0.009796 0.743839 0.497829 Cu\n0.509797 0.743839 0.002171 Cu\n0.453848 0.568975 0.811657 Cu\n0.046152 0.431025 0.311657 Cu\n0.403495 0.059081 0.362470 Se\n0.903495 0.059081 0.137530 Se\n0.596506 0.940919 0.637530 Se\n0.096505 0.940919 0.862470 Se\n0.236592 0.321642 0.676288 Cl\n0.736592 0.321642 0.823712 Cl\n0.763409 0.678357 0.323712 Cl\n0.263409 0.678358 0.176288 Cl\n0.809112 0.245820 0.225179 O\n0.923582 0.772161 0.941557 O\n0.576419 0.227839 0.441557 O\n0.631922 0.021358 0.072585 O\n0.868079 0.978641 0.572585 O\n0.368079 0.978642 0.927415 O\n0.131921 0.021358 0.427415 O\n0.680109 0.505916 0.059234 O\n0.819892 0.494084 0.559234 O\n0.319892 0.494084 0.940766 O\n0.180108 0.505916 0.440766 O\n0.190889 0.754180 0.774821 O\n0.423582 0.772161 0.558443 O\n0.076418 0.227839 0.058443 O\n0.690889 0.754179 0.725179 O\n0.309112 0.245821 0.274821 O\n",
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{
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"created_at": "2022-09-04T14:38:27.415062Z",
"updated_at": "2022-09-04T14:38:27.415074Z",
"structure_string": "Ca2 Mg5 Si8 O22 F2\n1.0\n5.272691 0.014526 0.640163\n1.945797 8.438209 4.707356\n0.017768 -0.002750 10.316402\nCa Mg Si O F\n2 5 8 22 2\ndirect\n0.500000 0.277189 0.445624 Ca\n0.500000 0.722812 0.554376 Ca\n0.500000 0.088279 0.823444 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.911722 0.176556 Mg\n0.000001 0.824314 0.351371 Mg\n0.000000 0.175686 0.648629 Mg\n0.701228 0.367792 0.832504 Si\n0.805765 0.881513 0.657110 Si\n0.298773 0.799704 0.832504 Si\n0.805765 0.538623 0.342890 Si\n0.298772 0.632209 0.167496 Si\n0.194236 0.461378 0.657110 Si\n0.701228 0.200297 0.167496 Si\n0.194235 0.118488 0.342890 Si\n0.209602 0.114914 0.499308 O\n0.591249 0.533842 0.238376 O\n0.104844 0.787267 0.726924 O\n0.209602 0.614222 0.500692 O\n0.291693 0.656418 0.000000 O\n0.895157 0.212733 0.273075 O\n0.725139 0.051183 0.660964 O\n0.790399 0.385779 0.499307 O\n0.725140 0.712148 0.339035 O\n0.218771 0.971364 0.831188 O\n0.895157 0.485809 0.726924 O\n0.274861 0.287852 0.660965 O\n0.790399 0.885086 0.500692 O\n0.781230 0.028637 0.168812 O\n0.408752 0.466159 0.761624 O\n0.708308 0.343583 -0.000000 O\n0.274861 0.948817 0.339035 O\n0.408751 0.227783 0.238376 O\n0.591249 0.772218 0.761624 O\n0.218771 0.802551 0.168812 O\n0.104843 0.514191 0.273076 O\n0.781230 0.197449 0.831187 O\n0.712893 0.896989 -0.000000 F\n0.287107 0.103011 -0.000000 F\n",
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}