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{
"id": "jvasp-9615",
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"structure_string": "Mg2 Ga4 O8\n1.0\n5.161578 -0.000000 2.980039\n1.720526 4.866382 2.980039\n-0.000000 -0.000000 5.960076\nMg Ga O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875001 0.875000 0.875001 Mg\n0.500001 0.500000 0.000000 Ga\n0.500001 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.739123 0.739122 0.739122 O\n0.260878 0.260878 0.717365 O\n0.260879 0.717364 0.260878 O\n0.717365 0.260878 0.260878 O\n0.739122 0.282635 0.739122 O\n0.282636 0.739122 0.739122 O\n0.260878 0.260878 0.260878 O\n0.739123 0.739122 0.282635 O\n",
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{
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{
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"structure_string": "Mn4 O4 F4\n1.0\n4.463382 0.000000 0.000000\n0.000000 5.119384 0.000000\n0.000000 0.000000 5.615439\nMn O F\n4 4 4\ndirect\n0.982723 0.278472 0.900596 Mn\n0.982723 0.778471 0.599404 Mn\n0.482723 0.221528 0.400596 Mn\n0.482723 0.721527 0.099404 Mn\n0.773315 0.098666 0.633308 O\n0.773315 0.598665 0.866692 O\n0.273315 0.901333 0.366692 O\n0.273315 0.401334 0.133308 O\n0.743963 0.542426 0.368810 F\n0.743963 0.042426 0.131190 F\n0.243963 0.457573 0.631190 F\n0.243963 0.957573 0.868811 F\n",
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{
"id": "jvasp-43815",
"created_at": "2022-09-04T14:36:11.300804Z",
"updated_at": "2022-09-04T14:36:11.300833Z",
"structure_string": "Fe4 O4 F6\n1.0\n-4.919698 -0.007216 0.002965\n2.452981 4.745094 0.044081\n-0.000598 -2.272145 -6.439188\nFe O F\n4 4 6\ndirect\n0.313705 0.102287 0.120309 Fe\n0.711878 0.903435 0.386150 Fe\n0.289538 0.102284 0.620307 Fe\n0.692500 0.903423 0.886148 Fe\n0.546322 0.915334 0.145941 O\n0.869957 0.915327 0.645942 O\n0.123450 0.084491 0.357350 O\n0.461994 0.084485 0.857349 O\n0.051775 0.262134 0.035603 F\n0.711338 0.262144 0.535608 F\n0.648067 0.519570 0.253783 F\n0.372428 0.519553 0.753785 F\n0.307923 0.732033 0.450774 F\n0.925044 0.732023 0.950774 F\n",
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{
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"updated_at": "2022-09-04T14:37:03.270753Z",
"structure_string": "H14 C18 S4 N2\n1.0\n4.696550 0.013897 0.327560\n0.920561 7.599078 0.954147\n0.006737 0.180855 11.410293\nH C S N\n14 18 4 2\ndirect\n0.550513 0.049476 0.940486 H\n0.838259 0.926291 0.371691 H\n0.338255 0.926289 0.871689 H\n0.525269 0.478551 0.024249 H\n0.287042 0.992541 0.642412 H\n0.787045 0.992538 0.142413 H\n0.794013 0.536729 0.252027 H\n0.025271 0.478552 0.524251 H\n0.451021 0.214839 0.458309 H\n0.951021 0.214836 0.958309 H\n0.399806 0.804502 0.183003 H\n0.899802 0.804502 0.683001 H\n0.050518 0.049477 0.440486 H\n0.294010 0.536728 0.752025 H\n0.059490 0.101080 0.249574 C\n0.047146 0.978326 0.363492 C\n0.547142 0.978325 0.863491 C\n0.716629 0.311102 0.576095 C\n0.216628 0.311101 0.076094 C\n0.287204 0.826796 0.367603 C\n0.787200 0.826795 0.867602 C\n0.559488 0.101080 0.749574 C\n0.659973 0.571745 0.432245 C\n0.940561 0.755018 0.775168 C\n0.521363 0.206935 0.547851 C\n0.021363 0.206932 0.047851 C\n0.440564 0.755018 0.275169 C\n0.434439 0.088497 0.646513 C\n0.934441 0.088495 0.146514 C\n0.651064 0.610648 0.311621 C\n0.151061 0.610647 0.811620 C\n0.159970 0.571744 0.932243 C\n0.903059 0.716450 0.002196 S\n0.403062 0.716452 0.502197 S\n0.280921 0.267774 0.226869 S\n0.780920 0.267774 0.726870 S\n0.340766 0.441119 0.999266 N\n0.840768 0.441119 0.499268 N\n",
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{
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"created_at": "2022-09-04T14:36:03.042642Z",
"updated_at": "2022-09-04T14:36:03.042662Z",
"structure_string": "Os4 N4\n1.0\n-2.777957 0.000000 0.000000\n0.000000 0.000000 -4.847492\n1.388979 -6.351939 0.000000\nOs N\n4 4\ndirect\n0.463016 0.675665 0.926031 Os\n0.536985 0.175665 0.073969 Os\n0.154669 0.577238 0.309338 Os\n0.845331 0.077238 0.690662 Os\n0.861547 0.504166 0.723093 N\n0.138453 0.004166 0.276907 N\n0.770849 0.672930 0.541697 N\n0.229151 0.172930 0.458303 N\n",
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{
"id": "jvasp-97654",
"created_at": "2022-09-04T14:35:42.812423Z",
"updated_at": "2022-09-04T14:35:42.812442Z",
"structure_string": "Nb8 Ni16 O36\n1.0\n5.091788 0.000000 0.000000\n-0.000000 8.733878 0.000000\n0.000000 0.000000 14.425320\nNb Ni O\n8 16 36\ndirect\n0.005016 0.031701 0.355608 Nb\n0.505016 0.468299 0.355608 Nb\n0.494984 0.468299 0.855608 Nb\n0.994984 0.031701 0.855608 Nb\n0.005016 0.968299 0.144392 Nb\n0.505016 0.531701 0.144392 Nb\n0.994984 0.968299 0.644392 Nb\n0.494984 0.531701 0.644392 Nb\n0.496109 0.164377 0.501394 Ni\n-0.004188 0.338028 0.685660 Ni\n0.495812 0.161972 0.685660 Ni\n0.496109 0.835623 0.998606 Ni\n0.003892 0.664377 0.498606 Ni\n0.504188 0.161972 0.185660 Ni\n0.504188 0.838029 0.314340 Ni\n0.503892 0.835623 0.498606 Ni\n0.996109 0.335623 0.501394 Ni\n-0.004188 0.661972 0.814340 Ni\n0.003892 0.335623 0.001394 Ni\n0.495812 0.838029 0.814340 Ni\n0.996109 0.664377 0.998606 Ni\n0.004188 0.338028 0.185660 Ni\n0.503892 0.164377 0.001394 Ni\n0.004188 0.661972 0.314340 Ni\n0.710674 0.000000 0.250000 O\n0.654530 0.652023 0.251001 O\n0.654530 0.347977 0.248999 O\n0.845470 0.152023 0.748999 O\n0.659723 0.995550 0.916182 O\n0.210674 0.500000 0.250000 O\n0.340278 0.004450 0.083818 O\n0.325079 0.326076 0.428799 O\n0.840278 0.504450 0.416182 O\n0.789327 0.500000 0.750000 O\n0.825079 0.173924 0.428799 O\n0.159722 0.504450 0.916182 O\n0.345470 0.652023 0.751001 O\n0.674921 0.326076 0.928799 O\n0.174921 0.173924 0.928799 O\n0.333986 0.336350 0.095212 O\n0.340278 0.995550 0.416182 O\n0.325079 0.673924 0.071201 O\n0.345470 0.347977 0.748999 O\n0.845470 0.847977 0.751001 O\n0.666014 0.336350 0.595212 O\n0.833986 0.836350 0.404788 O\n0.166014 0.163650 0.595212 O\n0.289327 0.000000 0.750000 O\n0.154530 0.152023 0.248999 O\n0.174921 0.826076 0.571201 O\n0.659723 0.004450 0.583818 O\n0.674921 0.673924 0.571201 O\n0.825079 0.826076 0.071201 O\n0.166014 0.836350 0.904788 O\n0.333986 0.663651 0.404788 O\n0.840278 0.495550 0.083818 O\n0.154530 0.847977 0.251001 O\n0.159722 0.495550 0.583818 O\n0.833986 0.163650 0.095212 O\n0.666014 0.663651 0.904788 O\n",
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{
"id": "jvasp-118018",
"created_at": "2022-09-04T14:38:47.920276Z",
"updated_at": "2022-09-04T14:38:47.920289Z",
"structure_string": "Mg2 H3 Cl1\n1.0\n3.449353 0.000000 -0.000000\n-1.724677 2.987228 0.000000\n-0.000000 0.000000 6.224439\nMg H Cl\n2 3 1\ndirect\n0.666665 0.333333 0.179087 Mg\n0.333331 0.666667 0.820913 Mg\n0.666665 0.333333 0.838655 H\n0.333331 0.666667 0.161345 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Cl\n",
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{
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"structure_string": "Na1 Mn1 O2\n1.0\n2.938805 0.002428 4.751902\n1.352518 2.609073 4.751903\n0.003990 0.002428 5.587229\nNa Mn O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.267095 0.267095 0.267095 O\n0.732904 0.732905 0.732904 O\n",
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{
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"structure_string": "Ca4 Mg4 Ni4 H16\n1.0\n6.688846 -0.000000 0.000000\n-0.000000 6.688846 0.000000\n0.000000 -0.000000 6.688846\nCa Mg Ni H\n4 4 4 16\ndirect\n0.660200 0.839801 0.160199 Ca\n0.839801 0.160199 0.660200 Ca\n0.160199 0.660200 0.839801 Ca\n0.339801 0.339801 0.339801 Ca\n0.341977 0.158023 0.841978 Mg\n0.158023 0.841978 0.341977 Mg\n0.841978 0.341977 0.158023 Mg\n0.658023 0.658023 0.658023 Mg\n0.047692 0.047692 0.047692 Ni\n0.452308 0.952309 0.547692 Ni\n0.547692 0.452308 0.952309 Ni\n0.952309 0.547692 0.452308 Ni\n0.590526 0.090526 0.409475 H\n0.909475 0.909475 0.909475 H\n0.055649 0.564433 0.236753 H\n0.236753 0.055649 0.564433 H\n0.564433 0.236753 0.055649 H\n0.935568 0.763247 0.555649 H\n0.736754 0.444352 0.435568 H\n0.944352 0.064432 0.263247 H\n0.263247 0.944352 0.064432 H\n0.763247 0.555649 0.935568 H\n0.064432 0.263247 0.944352 H\n0.555649 0.935568 0.763247 H\n0.409475 0.590526 0.090526 H\n0.444352 0.435568 0.736754 H\n0.435568 0.736754 0.444352 H\n0.090526 0.409475 0.590526 H\n",
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{
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"structure_string": "Mn6 O7 F5\n1.0\n8.936228 -0.000000 0.000000\n0.000000 4.620463 0.416967\n-0.000000 -0.032258 4.656417\nMn O F\n6 7 5\ndirect\n0.174254 0.980983 0.991178 Mn\n0.825747 0.980983 0.991178 Mn\n0.500000 0.011707 0.965764 Mn\n0.323124 0.511683 0.527643 Mn\n-0.000000 0.487668 0.493965 Mn\n0.676876 0.511683 0.527643 Mn\n0.834553 0.689886 0.305968 O\n0.165447 0.689886 0.305968 O\n0.500000 0.321966 0.693585 O\n0.164186 0.294064 0.695957 O\n0.339502 0.816023 0.812933 O\n0.660498 0.816023 0.812933 O\n0.835815 0.294064 0.695957 O\n0.654507 0.209622 0.197346 F\n-0.000000 0.788547 0.802409 F\n0.500000 0.717329 0.307301 F\n-0.000000 0.168256 0.174938 F\n0.345494 0.209622 0.197346 F\n",
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"structure_string": "Li6 V2 P2 C2 O14\n1.0\n0.000000 5.150005 0.050260\n6.576259 0.000000 0.000000\n0.000000 -0.279291 -8.207687\nLi V P C O\n6 2 2 2 14\ndirect\n0.043956 0.512192 0.005389 Li\n0.418776 0.230941 0.835346 Li\n0.429834 0.366303 0.496441 Li\n0.570165 0.866303 0.503560 Li\n0.581223 0.730941 0.164654 Li\n0.956043 0.012192 0.994611 Li\n0.068003 0.748629 0.736330 V\n0.931996 0.248629 0.263671 V\n0.038698 0.750455 0.326872 P\n0.961302 0.250455 0.673128 P\n0.529295 0.740006 0.852186 C\n0.470705 0.240006 0.147815 C\n0.918753 0.565830 0.228697 O\n0.931755 0.934049 0.223996 O\n0.533394 0.240999 0.301513 O\n0.338143 0.739029 0.339770 O\n0.918314 0.763267 0.495738 O\n0.081685 0.263267 0.504262 O\n0.342609 0.729039 0.955559 O\n0.466606 0.740999 0.698487 O\n0.068245 0.434049 0.776004 O\n0.081246 0.065830 0.771303 O\n0.767631 0.753864 0.906000 O\n0.232368 0.253864 0.094001 O\n0.661857 0.239029 0.660231 O\n0.657390 0.229039 0.044441 O\n",
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]
}