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{
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"structure_string": "V8 In8 Cu8 O40\n1.0\n6.218828 0.000000 0.000000\n0.000000 8.490461 -2.538691\n0.000000 0.010523 15.378040\nV In Cu O\n8 8 8 40\ndirect\n0.153483 0.069602 0.147621 V\n0.653483 0.930398 0.352379 V\n0.846517 0.930397 0.852379 V\n0.346517 0.069602 0.647621 V\n0.874064 0.323932 0.646825 V\n0.625937 0.323932 0.146825 V\n0.125936 0.676067 0.353175 V\n0.374064 0.676067 0.853175 V\n0.880726 0.624408 0.953173 In\n0.380726 0.375592 0.546827 In\n0.619274 0.624408 0.453173 In\n0.610413 0.296460 0.848144 In\n0.110413 0.703539 0.651855 In\n0.889587 0.296461 0.348145 In\n0.119274 0.375592 0.046827 In\n0.389587 0.703539 0.151856 In\n0.388426 0.286476 0.336222 Cu\n0.888426 0.713524 0.163778 Cu\n0.647361 0.933986 0.066192 Cu\n0.611575 0.713523 0.663778 Cu\n0.852640 0.933986 0.566192 Cu\n0.147361 0.066014 0.433808 Cu\n0.352639 0.066013 0.933808 Cu\n0.111574 0.286476 0.836222 Cu\n0.375963 0.721829 0.748530 O\n0.846577 0.766217 0.752624 O\n0.624038 0.278171 0.251470 O\n0.605411 0.370358 0.433783 O\n0.425021 0.028246 0.349269 O\n0.090679 0.447616 0.633986 O\n0.394589 0.629642 0.566217 O\n0.638085 0.420234 0.643390 O\n0.138085 0.579766 0.856610 O\n0.346577 0.233782 0.747376 O\n0.328277 0.286936 0.929484 O\n0.345909 0.137028 0.550573 O\n0.653423 0.766218 0.252624 O\n0.409321 0.447616 0.133986 O\n0.875695 0.055376 0.356672 O\n0.925021 0.971754 0.150731 O\n0.117515 0.849465 0.437664 O\n0.171723 0.286937 0.429484 O\n0.590679 0.552383 0.866014 O\n0.074980 0.028246 0.849269 O\n0.154091 0.137028 0.050573 O\n0.375694 0.944623 0.143328 O\n0.882485 0.150534 0.562336 O\n0.624306 0.055376 0.856672 O\n0.124306 0.944623 0.643328 O\n0.124037 0.721829 0.248530 O\n0.828277 0.713063 0.570516 O\n0.617516 0.150534 0.062336 O\n0.654091 0.862971 0.449427 O\n0.105411 0.629642 0.066217 O\n0.894590 0.370357 0.933783 O\n0.861916 0.420234 0.143390 O\n0.574980 0.971754 0.650731 O\n0.845909 0.862971 0.949427 O\n0.671723 0.713063 0.070516 O\n0.909321 0.552383 0.366014 O\n0.361916 0.579766 0.356610 O\n0.153423 0.233782 0.247376 O\n0.875963 0.278170 0.751470 O\n0.382485 0.849465 0.937664 O\n",
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{
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"structure_string": "K12 As4 S12\n1.0\n9.327697 0.000000 -0.000000\n0.000000 9.327697 0.000000\n0.000000 0.000000 9.327697\nK As S\n12 4 12\ndirect\n0.439068 0.439068 0.439068 K\n0.060932 0.560932 0.939068 K\n0.560932 0.939068 0.060932 K\n0.939068 0.060932 0.560932 K\n0.933748 0.933748 0.933748 K\n0.566252 0.066252 0.433748 K\n0.066252 0.433748 0.566252 K\n0.433748 0.566252 0.066252 K\n0.676508 0.676508 0.676508 K\n0.823492 0.323492 0.176508 K\n0.323492 0.176508 0.823492 K\n0.176508 0.823492 0.323492 K\n0.724805 0.275196 0.775196 As\n0.775196 0.724805 0.275196 As\n0.275196 0.775196 0.724805 As\n0.224804 0.224804 0.224804 As\n0.151227 0.459315 0.245086 S\n0.348773 0.540685 0.745087 S\n0.848773 0.959315 0.254914 S\n0.651227 0.040685 0.754914 S\n0.245086 0.151227 0.459315 S\n0.745087 0.348773 0.540685 S\n0.254914 0.848773 0.959315 S\n0.754914 0.651227 0.040685 S\n0.459315 0.245086 0.151227 S\n0.540685 0.745087 0.348773 S\n0.959315 0.254914 0.848773 S\n0.040685 0.754914 0.651227 S\n",
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"structure_string": "In3 H24 C12 N3 O30\n1.0\n9.024378 0.000000 -0.000000\n-4.512189 7.815340 -0.000000\n0.000000 -0.000000 11.498846\nIn H C N O\n3 24 12 3 30\ndirect\n0.500000 0.000000 0.000000 In\n-0.000000 0.500000 0.666667 In\n0.500000 0.500000 0.333333 In\n0.640942 0.899801 0.487593 H\n0.103716 0.025672 0.385761 H\n0.896284 0.974328 0.385761 H\n0.078045 0.974328 0.614239 H\n0.103716 0.078045 0.947572 H\n0.741141 0.100199 0.512408 H\n0.078045 0.103716 0.719096 H\n0.359058 0.100199 0.487593 H\n0.359058 0.258859 0.845741 H\n0.974328 0.896284 0.280905 H\n0.741141 0.640942 0.820926 H\n0.640942 0.741141 0.845741 H\n0.899802 0.258859 0.154259 H\n0.100199 0.359058 0.179075 H\n0.921955 0.896284 0.719096 H\n0.100199 0.741141 0.154259 H\n0.025672 0.921955 0.052428 H\n0.974328 0.078045 0.052428 H\n0.025672 0.103716 0.280905 H\n0.258859 0.359058 0.820926 H\n0.921956 0.025672 0.614239 H\n0.258859 0.899801 0.512408 H\n0.896284 0.921955 0.947572 H\n0.899802 0.640942 0.179075 H\n0.577358 0.788679 0.166667 C\n0.689436 0.378872 0.500000 C\n0.422642 0.211321 0.166667 C\n0.621128 0.310564 0.166667 C\n0.310564 0.689436 0.833333 C\n0.689436 0.310564 0.833333 C\n0.788679 0.211321 0.833333 C\n0.788679 0.577358 0.500000 C\n0.378872 0.689436 0.166667 C\n0.310564 0.621128 0.500000 C\n0.211321 0.788679 0.833333 C\n0.211321 0.422642 0.500000 C\n0.000000 0.000000 0.666667 N\n0.000000 0.000000 0.333333 N\n0.000000 0.000000 0.000000 N\n0.268770 0.346159 0.439037 O\n0.653841 0.922611 0.105704 O\n0.268770 0.922611 0.894297 O\n0.449372 0.693928 0.443454 O\n0.693928 0.449372 0.223213 O\n0.922611 0.268770 0.772370 O\n-0.000000 0.755375 0.166667 O\n0.755444 0.306072 0.556546 O\n0.077389 0.346159 0.560964 O\n0.346159 0.077389 0.105704 O\n0.306072 0.755444 0.110121 O\n0.755444 0.449372 0.776787 O\n0.755375 0.000000 0.500000 O\n0.922611 0.653841 0.560964 O\n0.755375 0.755375 0.833333 O\n0.244625 0.244625 0.833333 O\n0.731230 0.077389 0.894297 O\n0.449372 0.755444 0.889880 O\n-0.000000 0.244625 0.166667 O\n0.731230 0.653841 0.439037 O\n0.244556 0.550628 0.776787 O\n0.550628 0.244556 0.889880 O\n0.244625 0.000000 0.500000 O\n0.346159 0.268770 0.227630 O\n0.550628 0.306072 0.443454 O\n0.077389 0.731230 0.772370 O\n0.244556 0.693928 0.556546 O\n0.653841 0.731230 0.227630 O\n0.693928 0.244556 0.110121 O\n0.306072 0.550628 0.223213 O\n",
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{
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{
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{
"id": "jvasp-20954",
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{
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"created_at": "2022-09-04T14:37:38.847946Z",
"updated_at": "2022-09-04T14:37:38.847974Z",
"structure_string": "Te16 Br8\n1.0\n4.072109 0.000000 0.000000\n0.000000 13.244843 0.000000\n0.000000 0.000000 15.020594\nTe Br\n16 8\ndirect\n0.750000 0.057716 0.707703 Te\n0.250000 0.236082 0.925900 Te\n0.750000 0.763918 0.074100 Te\n0.750000 0.736082 0.574100 Te\n0.250000 0.263918 0.425900 Te\n0.250000 0.917175 0.087146 Te\n0.250000 0.582825 0.587146 Te\n0.750000 0.417175 0.412854 Te\n0.750000 0.082825 0.912853 Te\n0.750000 0.706196 0.819295 Te\n0.750000 0.793803 0.319295 Te\n0.250000 0.206196 0.680705 Te\n0.750000 0.442284 0.207704 Te\n0.250000 0.557716 0.792296 Te\n0.250000 0.942284 0.292296 Te\n0.250000 0.293804 0.180705 Te\n0.250000 0.601740 0.056238 Br\n0.750000 0.122732 0.164703 Br\n0.250000 0.877268 0.835297 Br\n0.250000 0.622732 0.335297 Br\n0.750000 0.377268 0.664702 Br\n0.750000 0.101740 0.443762 Br\n0.250000 0.898260 0.556238 Br\n0.750000 0.398260 0.943762 Br\n",
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}