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{
"id": "jvasp-74008",
"created_at": "2022-09-04T14:36:12.426672Z",
"updated_at": "2022-09-04T14:36:12.426684Z",
"structure_string": "K1 Be1 Si2\n1.0\n3.284768 0.000000 0.000000\n0.000000 3.284768 -0.000000\n0.000000 -0.000000 7.240605\nK Be Si\n1 1 2\ndirect\n0.500000 0.500000 0.746255 K\n0.000000 0.000000 0.385722 Be\n0.000000 0.000000 0.084860 Si\n0.500000 0.500000 0.283163 Si\n",
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{
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"structure_string": "Ca2 C4\n1.0\n3.764017 0.006832 0.966895\n1.476924 3.462161 0.966895\n-0.043238 -0.028620 7.359972\nCa C\n2 4\ndirect\n0.824850 0.175151 0.249999 Ca\n0.175150 0.824848 0.749999 Ca\n0.141894 0.423071 0.439781 C\n0.576929 0.858105 0.060218 C\n0.423071 0.141894 0.939781 C\n0.858106 0.576928 0.560218 C\n",
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{
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"structure_string": "Li1 Al1 O1\n1.0\n3.865261 -0.000000 -0.000000\n-1.932631 3.347415 0.000000\n0.000000 0.000000 2.891426\nLi Al O\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Li\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.000000 O\n",
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{
"id": "jvasp-112143",
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"updated_at": "2022-09-04T14:38:44.637504Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.139078 -0.034901 1.026675\n-0.538096 5.599164 2.119111\n-0.184856 -0.019100 8.124204\nMg H C O\n2 4 6 8\ndirect\n0.357997 0.115401 0.588644 Mg\n0.980406 0.400769 0.040435 Mg\n0.620862 0.652100 0.548307 H\n0.284233 0.920671 0.082112 H\n0.953259 0.498557 0.609594 H\n0.652393 0.786569 0.071159 H\n0.439483 0.812173 0.164046 C\n0.743494 0.583291 0.658069 C\n0.550627 0.953237 0.265881 C\n0.256218 0.571969 0.281730 C\n0.513871 0.398178 0.814993 C\n0.870336 0.778353 0.710067 C\n0.316278 0.259300 0.791410 O\n0.504200 0.396375 0.975448 O\n0.350936 0.445755 0.420637 O\n0.797865 -0.006971 0.648279 O\n0.823330 0.074175 0.196202 O\n0.072567 0.726663 0.811583 O\n0.364432 0.947179 0.413149 O\n0.015999 0.506338 0.235955 O\n",
"nsites": 20,
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"formula_full": "Mg2 H4 C6 O8",
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"spacegroup": 1
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{
"id": "jvasp-106930",
"created_at": "2022-09-04T14:36:57.758989Z",
"updated_at": "2022-09-04T14:36:57.759012Z",
"structure_string": "Li5 Fe1 S4\n1.0\n6.044598 0.022898 -4.733137\n-0.394923 3.568882 -6.785823\n-0.042223 -0.022898 7.677107\nLi Fe S\n5 1 4\ndirect\n0.394635 0.177188 0.217447 Li\n0.959742 0.177188 0.782554 Li\n0.040259 0.822811 0.217447 Li\n0.605366 0.822811 0.782554 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.499999 0.500000 Fe\n0.756543 -0.000000 0.756542 S\n0.204747 0.704746 0.500000 S\n0.795254 0.295253 0.500000 S\n0.243458 -0.000000 0.243458 S\n",
"nsites": 10,
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"formula_full": "Li5 Fe1 S4",
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{
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"updated_at": "2022-09-04T14:35:59.933467Z",
"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",
"nsites": 52,
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"formula_full": "Mn4 H24 O12 F12",
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{
"id": "jvasp-8014",
"created_at": "2022-09-04T14:37:04.149098Z",
"updated_at": "2022-09-04T14:37:04.149118Z",
"structure_string": "Ca2 N1\n1.0\n3.511580 0.041796 5.671902\n1.645219 3.102612 5.671902\n0.068546 0.041796 6.670605\nCa N\n2 1\ndirect\n0.732634 0.732635 0.732633 Ca\n0.267366 0.267367 0.267366 Ca\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-66907",
"created_at": "2022-09-04T14:35:59.044625Z",
"updated_at": "2022-09-04T14:35:59.044654Z",
"structure_string": "Be2 Si1 Cl1\n1.0\n3.135391 0.000000 0.000000\n0.000000 3.135391 0.000000\n0.000000 0.000000 6.219792\nBe Si Cl\n2 1 1\ndirect\n0.000000 0.000000 0.013830 Be\n0.500000 0.500000 0.228577 Be\n0.500000 0.500000 0.871423 Si\n0.000000 0.000000 0.386170 Cl\n",
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{
"id": "jvasp-32143",
"created_at": "2022-09-04T14:37:44.249295Z",
"updated_at": "2022-09-04T14:37:44.249328Z",
"structure_string": "P4 S14\n1.0\n6.056772 0.004695 -0.065431\n0.544201 6.464094 -0.020974\n0.035501 1.386072 10.967730\nP S\n4 14\ndirect\n0.055123 0.172747 0.065473 P\n0.630717 0.798968 0.495050 P\n0.369283 0.201031 0.504951 P\n0.944876 0.827252 0.934528 P\n0.149000 0.769472 0.783905 S\n0.374390 0.990684 0.788761 S\n0.241462 0.253658 0.678602 S\n0.726249 0.563637 0.613729 S\n0.717487 0.099694 0.530679 S\n0.282512 0.900306 0.469321 S\n0.758537 0.746341 0.321398 S\n0.841950 0.153882 0.911202 S\n0.625609 0.009315 0.211240 S\n0.850999 0.230527 0.216095 S\n0.158050 0.846118 0.088799 S\n0.284841 0.364535 0.049412 S\n0.273750 0.436363 0.386271 S\n0.715159 0.635465 0.950589 S\n",
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{
"id": "jvasp-62579",
"created_at": "2022-09-04T14:35:46.359692Z",
"updated_at": "2022-09-04T14:35:46.359720Z",
"structure_string": "Ca4 B8 H8\n1.0\n3.198752 -0.000000 0.000000\n-0.000000 3.489486 0.000000\n0.000000 0.000000 17.122354\nCa B H\n4 8 8\ndirect\n0.250000 0.957554 0.885709 Ca\n0.750000 0.457554 0.614290 Ca\n0.750000 0.042447 0.114291 Ca\n0.250000 0.542447 0.385709 Ca\n0.250000 0.871358 0.737324 B\n0.750000 0.371357 0.762676 B\n0.250000 0.628644 0.237324 B\n0.750000 0.128643 0.262676 B\n0.750000 0.559061 0.989076 B\n0.750000 0.940941 0.489076 B\n0.250000 0.440941 0.010924 B\n0.250000 0.059060 0.510923 B\n0.750000 0.885380 0.962574 H\n0.250000 0.890881 0.664272 H\n0.750000 0.390880 0.835727 H\n0.750000 0.109120 0.335727 H\n0.250000 0.609121 0.164272 H\n0.250000 0.114621 0.037425 H\n0.750000 0.614622 0.462575 H\n0.250000 0.385379 0.537425 H\n",
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"structure_string": "H12 Cl4 O20\n1.0\n8.951544 0.000000 0.000000\n0.000000 5.769561 -0.000000\n0.000000 0.000000 6.880967\nH Cl O\n12 4 20\ndirect\n0.211228 0.250000 0.610334 H\n0.711228 0.250000 0.889667 H\n0.788771 0.750000 0.389666 H\n0.288772 0.750000 0.110334 H\n0.818302 0.250000 0.674828 H\n0.898979 0.250000 0.906011 H\n0.318302 0.250000 0.825173 H\n0.398979 0.250000 0.593990 H\n0.101021 0.750000 0.093990 H\n0.181698 0.750000 0.325173 H\n0.601020 0.750000 0.406010 H\n0.681698 0.750000 0.174828 H\n0.561240 0.750000 0.815631 Cl\n0.061240 0.750000 0.684370 Cl\n0.938759 0.250000 0.315631 Cl\n0.438759 0.250000 0.184369 Cl\n0.071854 0.545578 0.805899 O\n0.309636 0.250000 0.676220 O\n0.809636 0.250000 0.823780 O\n0.428146 0.045578 0.305898 O\n0.928146 0.454422 0.194102 O\n0.571854 0.545578 0.694102 O\n0.071854 0.954422 0.805899 O\n0.571854 0.954422 0.694102 O\n0.428146 0.454422 0.305898 O\n0.312838 0.250000 0.046117 O\n0.421053 0.750000 0.921519 O\n0.921052 0.750000 0.578482 O\n0.578947 0.250000 0.078482 O\n0.078947 0.250000 0.421518 O\n0.687162 0.750000 0.953883 O\n0.187162 0.750000 0.546117 O\n0.190364 0.750000 0.176220 O\n0.812837 0.250000 0.453883 O\n0.928146 0.045578 0.194102 O\n0.690363 0.750000 0.323780 O\n",
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{
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"created_at": "2022-09-04T14:36:08.550352Z",
"updated_at": "2022-09-04T14:36:08.550367Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.771141 1.508280 0.000000\n-2.079361 6.618119 0.000000\n0.000000 0.000000 3.263100\nMg Cr B\n6 1 1\ndirect\n0.216177 0.954970 0.250000 Mg\n0.545030 0.283823 0.250000 Mg\n0.658867 0.841133 0.250000 Mg\n0.363107 0.607220 0.750000 Mg\n0.892780 0.136893 0.750000 Mg\n0.911413 0.588587 0.750000 Mg\n0.148763 0.351237 0.250000 Cr\n0.263863 0.236137 0.750000 B\n",
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]
}