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{
"id": "jvasp-119506",
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{
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"structure_string": "Ca16 In6\n1.0\n9.323021 -0.004312 -1.813541\n-5.115795 7.945005 -1.479464\n-0.011372 -0.020498 9.636640\nCa In\n16 6\ndirect\n0.921125 0.769163 0.391880 Ca\n0.228013 0.846854 0.202850 Ca\n0.537753 0.705337 0.794260 Ca\n0.961079 0.061272 0.171267 Ca\n0.038921 0.938728 0.828734 Ca\n0.771988 0.153146 0.797151 Ca\n0.879355 0.399494 0.146042 Ca\n0.667612 0.120852 0.388016 Ca\n0.462247 0.294663 0.205740 Ca\n0.332388 0.879147 0.611985 Ca\n0.297923 0.501436 0.387180 Ca\n0.120645 0.600505 0.853959 Ca\n0.533644 0.703002 0.149200 Ca\n0.466357 0.296997 0.850801 Ca\n0.702077 0.498564 0.612820 Ca\n0.078875 0.230836 0.608120 Ca\n0.500000 0.000000 0.000000 In\n0.826775 0.662090 -0.000132 In\n0.676125 0.838881 0.525389 In\n0.000000 0.500000 0.500000 In\n0.173225 0.337910 0.000133 In\n0.323876 0.161119 0.474612 In\n",
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{
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"structure_string": "Ca14 Hf2 N12\n1.0\n5.973296 0.000000 2.172509\n2.689923 8.673306 1.902095\n0.007327 -0.031221 9.277869\nCa Hf N\n14 2 12\ndirect\n0.280873 0.957217 0.042784 Ca\n0.250000 0.250000 0.250000 Ca\n0.007425 0.650686 0.104554 Ca\n0.237336 0.104554 0.650685 Ca\n0.492575 0.395447 0.849315 Ca\n0.262664 0.849315 0.395447 Ca\n0.992575 0.349315 0.895447 Ca\n0.750000 0.750000 0.750000 Ca\n0.507425 0.604554 0.150686 Ca\n0.737336 0.150686 0.604553 Ca\n0.780874 0.542784 0.457217 Ca\n0.219126 0.457217 0.542784 Ca\n0.719127 0.042784 0.957216 Ca\n0.762664 0.895447 0.349315 Ca\n0.750000 0.250000 0.250000 Hf\n0.250000 0.750000 0.750000 Hf\n0.119901 0.656593 0.343408 N\n0.880100 0.343407 0.656593 N\n0.129117 0.563611 0.780474 N\n0.526799 0.780474 0.563611 N\n0.370883 0.719527 0.936390 N\n0.629117 0.280474 0.063610 N\n0.870883 0.436390 0.219527 N\n0.473201 0.219527 0.436390 N\n0.026799 0.063610 0.280474 N\n0.619901 0.843408 0.156593 N\n0.973201 0.936390 0.719527 N\n0.380100 0.156593 0.843407 N\n",
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{
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"updated_at": "2022-09-04T14:37:47.767892Z",
"structure_string": "Ca7 H12 Cl2\n1.0\n4.647592 -8.049864 -0.000000\n4.647592 8.049865 0.000000\n-0.000000 -0.000000 3.662031\nCa H Cl\n7 12 2\ndirect\n0.666667 0.333333 0.000000 Ca\n0.077619 0.439014 0.000000 Ca\n0.560985 0.638603 0.000000 Ca\n0.361397 0.922381 0.000000 Ca\n0.781418 0.050956 0.500000 Ca\n0.269537 0.218582 0.500000 Ca\n0.949044 0.730463 0.500000 Ca\n0.227969 0.942641 0.500000 H\n0.714673 0.772031 0.500000 H\n0.882077 0.447805 0.500000 H\n0.552194 0.434271 0.500000 H\n0.057358 0.285327 0.500000 H\n0.565728 0.117923 0.500000 H\n0.784375 0.608653 0.000000 H\n0.090363 0.698141 0.000000 H\n0.301859 0.392222 0.000000 H\n0.824278 0.215625 0.000000 H\n0.391346 0.175721 0.000000 H\n0.607777 0.909637 0.000000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
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"structure_string": "Ca7 Ge1\n1.0\n6.364625 0.000000 3.674618\n2.121542 6.000626 3.674618\n0.000000 0.000000 7.349236\nCa Ge\n7 1\ndirect\n0.500000 -0.000000 0.500001 Ca\n0.499999 0.500000 0.500001 Ca\n0.500000 -0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n0.499999 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-38127",
"created_at": "2022-09-04T14:38:31.708842Z",
"updated_at": "2022-09-04T14:38:31.708865Z",
"structure_string": "Ca6 Sn2 N1 F1\n1.0\n-0.000000 4.879210 4.879210\n4.879210 -0.000000 4.879210\n4.879210 4.879210 -0.000000\nCa Sn N F\n6 2 1 1\ndirect\n0.241473 0.758526 0.758526 Ca\n0.241473 0.758526 0.241473 Ca\n0.758526 0.241473 0.758526 Ca\n0.758526 0.758526 0.241473 Ca\n0.241473 0.241473 0.758526 Ca\n0.758526 0.241473 0.241473 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:36:18.868854Z",
"updated_at": "2022-09-04T14:36:18.868870Z",
"structure_string": "Ca12 Si6 H4 O26\n1.0\n6.780864 -0.004918 -0.899958\n-1.015486 6.862227 -0.100765\n-0.001768 -0.034938 12.905118\nCa Si H O\n12 6 4 26\ndirect\n0.684833 0.811687 0.125261 Ca\n0.809163 0.796964 0.513137 Ca\n0.434222 0.965121 0.676932 Ca\n0.108996 0.526492 0.709273 Ca\n0.921500 0.803754 0.898667 Ca\n0.078498 0.196246 0.101332 Ca\n0.190835 0.203036 0.486862 Ca\n0.891002 0.473508 0.290727 Ca\n0.404096 0.521862 0.295811 Ca\n0.565777 0.034879 0.323067 Ca\n0.595902 0.478138 0.704188 Ca\n0.315165 0.188313 0.874739 Ca\n0.715425 0.301097 0.509186 Si\n0.810839 0.283165 0.884205 Si\n0.189160 0.716835 0.115795 Si\n0.612352 0.288939 0.097913 Si\n0.387646 0.711061 0.902086 Si\n0.284574 0.698903 0.490814 Si\n0.199838 0.026311 0.271058 H\n0.061275 0.110621 0.675991 H\n0.800161 0.973689 0.728941 H\n0.938724 0.889379 0.324008 H\n0.846381 0.128680 0.486002 O\n0.235055 0.160425 0.299497 O\n0.255251 0.845535 0.822337 O\n0.185467 0.202329 0.684541 O\n0.521444 0.217111 0.566802 O\n0.013185 0.853011 0.089955 O\n0.478555 0.782889 0.433197 O\n0.986813 0.146989 0.910045 O\n0.112708 0.511391 0.169494 O\n0.748769 0.337681 0.000499 O\n0.611041 0.811872 0.948011 O\n0.163870 0.512320 0.417057 O\n0.836128 0.487680 0.582942 O\n0.386018 0.508875 0.834908 O\n0.383454 0.818176 0.196106 O\n0.251230 0.662319 0.999500 O\n0.613981 0.491125 0.165092 O\n0.640294 0.371793 0.390876 O\n0.764943 0.839575 0.700503 O\n0.616545 0.181824 0.803894 O\n0.359705 0.628207 0.609123 O\n0.887290 0.488609 0.830506 O\n0.153617 0.871320 0.513998 O\n0.744747 0.154465 0.177663 O\n0.814531 0.797671 0.315459 O\n0.388958 0.188128 0.051989 O\n",
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"structure_string": "Ca12 Mn2 N10\n1.0\n3.099810 -5.369027 -0.000000\n3.099810 5.369027 -0.000000\n0.000000 0.000000 12.272874\nCa Mn N\n12 2 10\ndirect\n-0.000000 0.605605 0.118872 Ca\n0.394395 0.394395 0.118872 Ca\n0.605605 -0.000000 0.381128 Ca\n-0.000000 0.605605 0.381128 Ca\n-0.000000 0.394395 0.881128 Ca\n0.394395 -0.000000 0.881128 Ca\n-0.000000 0.394395 0.618872 Ca\n0.394395 -0.000000 0.618872 Ca\n0.394395 0.394395 0.381128 Ca\n0.605605 0.605605 0.881128 Ca\n0.605605 -0.000000 0.118872 Ca\n0.605605 0.605605 0.618872 Ca\n0.000000 0.000000 0.250000 Mn\n0.000000 0.000000 0.750000 Mn\n0.712684 -0.000000 0.750000 N\n0.666667 0.333333 0.000000 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.000000 N\n0.287316 -0.000000 0.250000 N\n0.287316 0.287316 0.750000 N\n0.712684 0.712684 0.250000 N\n-0.000000 0.712684 0.750000 N\n0.666667 0.333333 0.500000 N\n-0.000000 0.287316 0.250000 N\n",
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"structure_string": "Ca12 Mn2 N10\n1.0\n3.099810 -5.369027 0.000000\n3.099810 5.369027 0.000000\n0.000000 0.000000 12.272874\nCa Mn N\n12 2 10\ndirect\n0.605605 0.605605 0.881128 Ca\n-0.000000 0.394395 0.881128 Ca\n0.394395 -0.000000 0.618872 Ca\n0.605605 0.605605 0.618872 Ca\n0.394395 0.394395 0.118872 Ca\n0.605605 -0.000000 0.118872 Ca\n0.394395 0.394395 0.381128 Ca\n0.605605 -0.000000 0.381128 Ca\n-0.000000 0.394395 0.618872 Ca\n-0.000000 0.605605 0.118872 Ca\n0.394395 -0.000000 0.881128 Ca\n-0.000000 0.605605 0.381128 Ca\n0.000000 0.000000 0.750000 Mn\n0.000000 0.000000 0.250000 Mn\n0.287316 -0.000000 0.250000 N\n0.666667 0.333333 0.000000 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.000000 N\n0.712684 -0.000000 0.750000 N\n-0.000000 0.287316 0.250000 N\n-0.000000 0.712684 0.750000 N\n0.712684 0.712684 0.250000 N\n0.666667 0.333333 0.500000 N\n0.287316 0.287316 0.750000 N\n",
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}