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{
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"structure_string": "Sn8 S12\n1.0\n3.821539 -0.000000 0.000000\n0.000000 8.992395 0.000000\n0.000000 0.000000 14.072419\nSn S\n8 12\ndirect\n0.250000 0.012893 0.330709 Sn\n0.250000 0.512893 0.169291 Sn\n0.750000 0.487107 0.830709 Sn\n0.250000 0.666284 0.551308 Sn\n0.750000 0.333716 0.448692 Sn\n0.250000 0.166284 0.948692 Sn\n0.750000 0.833717 0.051308 Sn\n0.750000 0.987107 0.669291 Sn\n0.250000 0.788892 0.713308 S\n0.750000 0.211109 0.286693 S\n0.750000 0.982406 0.892386 S\n0.250000 0.159890 0.506420 S\n0.750000 0.840111 0.493581 S\n0.250000 0.659890 0.993581 S\n0.750000 0.340110 0.006420 S\n0.250000 0.517594 0.392386 S\n0.750000 0.482406 0.607614 S\n0.250000 0.017594 0.107614 S\n0.750000 0.711109 0.213307 S\n0.250000 0.288892 0.786693 S\n",
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{
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"structure_string": "K12 Co2 Se8\n1.0\n10.121915 0.000000 -0.000000\n-5.060958 8.765836 0.000000\n0.000000 0.000000 7.821748\nK Co Se\n12 2 8\ndirect\n0.146416 0.853584 0.547690 K\n0.473356 0.526644 0.864979 K\n0.526643 0.053288 0.364979 K\n0.473356 0.946713 0.864979 K\n0.053288 0.526644 0.864979 K\n0.526643 0.473357 0.364979 K\n0.946712 0.473357 0.364979 K\n0.707167 0.853584 0.547690 K\n0.146416 0.292833 0.547690 K\n0.853583 0.707168 0.047690 K\n0.292833 0.146416 0.047690 K\n0.853583 0.146416 0.047690 K\n0.333333 0.666667 0.250372 Co\n0.666667 0.333333 0.750372 Co\n0.603348 0.801674 0.151339 Se\n0.333333 0.666667 0.567307 Se\n0.666667 0.333333 0.067307 Se\n0.198326 0.801674 0.151339 Se\n0.396652 0.198327 0.651339 Se\n0.801673 0.603348 0.651339 Se\n0.198326 0.396652 0.151339 Se\n0.801673 0.198327 0.651339 Se\n",
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{
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"structure_string": "Sr4 Si8\n1.0\n6.578242 0.000000 -0.000000\n-0.000000 6.578242 0.000000\n-0.000000 0.000000 6.578242\nSr Si\n4 8\ndirect\n0.875000 0.125000 0.625000 Sr\n0.125000 0.625000 0.875000 Sr\n0.625000 0.875000 0.125000 Sr\n0.375000 0.375000 0.375000 Sr\n0.673389 0.673389 0.673389 Si\n0.923389 0.576610 0.423390 Si\n0.576610 0.423390 0.923389 Si\n0.423390 0.923389 0.576610 Si\n0.076610 0.076610 0.076610 Si\n0.326610 0.173390 0.826610 Si\n0.826610 0.326610 0.173390 Si\n0.173390 0.826610 0.326610 Si\n",
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{
"id": "jvasp-9897",
"created_at": "2022-09-04T14:38:07.793228Z",
"updated_at": "2022-09-04T14:38:07.793250Z",
"structure_string": "Mg2 Cr1 W1 O6\n1.0\n5.145280 0.019549 -0.003208\n2.555645 4.465785 -0.004330\n2.569871 1.497902 4.620340\nMg Cr W O\n2 1 1 6\ndirect\n0.288294 0.290794 0.145418 Mg\n0.789422 0.791926 0.642016 Mg\n0.496292 0.498771 0.521455 Cr\n0.994910 0.997403 0.025571 W\n0.370546 0.105410 0.813827 O\n0.611624 0.886058 0.306731 O\n0.102894 0.725516 0.813826 O\n0.722990 0.373045 0.813847 O\n0.208381 0.614132 0.306724 O\n0.883565 0.210871 0.306729 O\n",
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{
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"created_at": "2022-09-04T14:36:18.851612Z",
"updated_at": "2022-09-04T14:36:18.851639Z",
"structure_string": "Ba2 Li2 Sb2\n1.0\n4.905607 0.000000 -0.000000\n-2.452804 4.248381 0.000000\n0.000000 0.000000 9.146511\nBa Li Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Li\n0.333334 0.666667 0.250000 Li\n0.666668 0.333333 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n",
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{
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"created_at": "2022-09-04T14:38:18.128703Z",
"updated_at": "2022-09-04T14:38:18.128714Z",
"structure_string": "Ti1 Zn2 W1 O6\n1.0\n5.222283 0.363922 0.223446\n2.301970 4.706805 -0.037705\n2.301774 1.827745 4.653864\nTi Zn W O\n1 2 1 6\ndirect\n0.522242 0.482193 0.493569 Ti\n0.252714 0.212661 0.302180 Zn\n0.770210 0.730144 0.749681 Zn\n0.020751 -0.019299 -0.001946 W\n0.900843 0.607776 0.241877 O\n0.142932 0.355181 0.740835 O\n0.647851 0.229731 0.241861 O\n0.781271 0.102881 0.740862 O\n0.269808 0.860771 0.241872 O\n0.395226 0.741261 0.740858 O\n",
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{
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"created_at": "2022-09-04T14:38:33.530261Z",
"updated_at": "2022-09-04T14:38:33.530278Z",
"structure_string": "Mg2 Fe1 W1 O6\n1.0\n5.163219 -0.011782 -0.005711\n-2.571347 4.477563 0.008696\n-2.579818 -1.490964 4.659351\nMg Fe W O\n2 1 1 6\ndirect\n0.428095 0.704553 0.134628 Mg\n0.428391 0.204695 0.635071 Mg\n-0.001281 0.489885 0.490562 Fe\n0.017310 -0.000823 0.018458 W\n0.192915 0.902702 0.822105 O\n0.918407 0.103990 0.305678 O\n0.548896 0.627201 0.822121 O\n0.917418 0.271234 0.822121 O\n0.199713 0.795468 0.305675 O\n0.508224 0.385275 0.305669 O\n",
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{
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"created_at": "2022-09-04T14:38:13.224458Z",
"updated_at": "2022-09-04T14:38:13.224487Z",
"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
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{
"id": "jvasp-98938",
"created_at": "2022-09-04T14:35:54.484382Z",
"updated_at": "2022-09-04T14:35:54.484409Z",
"structure_string": "Ba4 Si4 O12\n1.0\n4.614063 0.000000 0.000000\n0.000000 5.644155 0.000000\n0.000000 0.000000 12.509433\nBa Si O\n4 4 12\ndirect\n0.771750 0.186780 0.357914 Ba\n0.228250 0.686780 0.142086 Ba\n0.728249 0.813219 0.857914 Ba\n0.271750 0.313219 0.642085 Ba\n0.326150 0.699943 0.426315 Si\n0.826150 0.800056 0.573685 Si\n0.673849 0.199943 0.073685 Si\n0.173850 0.300056 0.926315 Si\n0.818465 0.280874 0.955673 O\n0.318465 0.219125 0.044327 O\n0.239847 0.576969 0.904452 O\n0.258307 0.888116 0.332540 O\n0.758307 0.611883 0.667460 O\n0.741692 0.388116 0.167460 O\n0.241692 0.111883 0.832540 O\n0.260152 0.423030 0.404452 O\n0.760152 0.076969 0.595548 O\n0.739847 0.923030 0.095548 O\n0.681534 0.719125 0.455673 O\n0.181534 0.780874 0.544326 O\n",
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{
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"structure_string": "Tl6 Cu6 H6 C6 O24\n1.0\n10.992189 -0.000000 0.000000\n-5.496094 9.519515 -0.000000\n-0.000000 -0.000000 6.072120\nTl Cu H C O\n6 6 6 6 24\ndirect\n0.867695 0.720564 0.250000 Tl\n0.852869 0.132305 0.250000 Tl\n0.279437 0.147132 0.250000 Tl\n0.132305 0.279437 0.750000 Tl\n0.147132 0.867695 0.750000 Tl\n0.720564 0.852869 0.750000 Tl\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.803494 0.403778 0.250000 H\n0.600284 0.196506 0.250000 H\n0.596223 0.399716 0.250000 H\n0.196507 0.596223 0.750000 H\n0.399717 0.803494 0.750000 H\n0.403778 0.600284 0.750000 H\n0.428969 0.192699 0.750000 C\n0.807301 0.236270 0.750000 C\n0.763731 0.571032 0.750000 C\n0.571032 0.807301 0.250000 C\n0.192700 0.763731 0.250000 C\n0.236270 0.428969 0.250000 C\n0.719826 0.104305 0.750000 O\n0.104305 0.384479 0.250000 O\n0.615522 0.719826 0.250000 O\n0.280175 0.895696 0.250000 O\n0.302702 0.449851 0.062226 O\n0.550150 0.852851 0.062226 O\n0.147150 0.697298 0.062226 O\n0.697298 0.550149 0.562226 O\n0.449851 0.147149 0.562226 O\n0.852851 0.302702 0.562226 O\n0.697298 0.550149 0.937774 O\n0.449851 0.147149 0.937774 O\n0.302702 0.449851 0.437774 O\n0.550150 0.852851 0.437774 O\n0.147150 0.697298 0.437774 O\n0.495934 0.607226 0.750000 O\n0.392775 0.888708 0.750000 O\n0.111293 0.504067 0.750000 O\n0.504067 0.392775 0.250000 O\n0.607226 0.111292 0.250000 O\n0.888708 0.495933 0.250000 O\n0.384479 0.280174 0.750000 O\n0.852851 0.302702 0.937774 O\n0.895696 0.615522 0.750000 O\n",
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