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{
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{
"id": "jvasp-116627",
"created_at": "2022-09-04T14:38:42.563933Z",
"updated_at": "2022-09-04T14:38:42.563960Z",
"structure_string": "Ce8 S8 Cl8\n1.0\n6.837497 0.000000 0.000000\n0.000000 6.979807 0.000000\n-0.000000 -0.000000 13.432134\nCe S Cl\n8 8 8\ndirect\n0.258164 0.961781 0.901376 Ce\n0.741836 0.038219 0.098624 Ce\n0.241836 0.461781 0.098624 Ce\n0.741836 0.538219 0.401376 Ce\n0.758164 0.538219 0.901376 Ce\n0.258164 0.461781 0.598624 Ce\n0.758164 0.038219 0.598624 Ce\n0.241836 0.961781 0.401376 Ce\n0.501421 0.741880 0.027069 S\n0.498579 0.258120 0.972931 S\n-0.001421 0.241880 0.972931 S\n0.498579 0.758120 0.527069 S\n0.001421 0.758120 0.027069 S\n0.501421 0.241880 0.472931 S\n0.001421 0.258120 0.472931 S\n-0.001421 0.741880 0.527069 S\n0.136782 0.620363 0.788791 Cl\n0.863219 0.379638 0.211209 Cl\n0.363219 0.120363 0.211209 Cl\n0.863219 0.879638 0.288791 Cl\n0.636782 0.879638 0.788791 Cl\n0.136782 0.120363 0.711208 Cl\n0.636782 0.379638 0.711208 Cl\n0.363219 0.620363 0.288791 Cl\n",
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{
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"structure_string": "Sb4 Cl16 F4\n1.0\n7.148617 -0.000000 3.079247\n3.574308 9.077364 1.539625\n-0.016760 -0.000001 9.876456\nSb Cl F\n4 16 4\ndirect\n0.080523 0.177945 0.724221 Sb\n0.741532 0.275779 0.177945 Sb\n0.982690 0.822055 0.275779 Sb\n0.195256 0.724221 0.822055 Sb\n0.275916 0.872691 0.212369 Cl\n0.511716 0.212369 0.127308 Cl\n0.851394 0.787631 0.872692 Cl\n0.360976 0.127308 0.787631 Cl\n0.300593 0.685956 0.569474 Cl\n0.129933 0.569474 0.314044 Cl\n0.013451 0.430525 0.685956 Cl\n0.556024 0.314044 0.430526 Cl\n0.833436 0.911127 0.516426 Cl\n0.255437 0.483574 0.911127 Cl\n0.260989 0.088873 0.483574 Cl\n0.035274 0.269680 0.196535 Cl\n0.501489 0.730320 0.803465 Cl\n0.768192 0.196535 0.730321 Cl\n0.695047 0.803465 0.269680 Cl\n0.650140 0.516426 0.088873 Cl\n0.093044 0.794477 0.043045 F\n0.930565 0.205523 0.956955 F\n0.863912 0.043045 0.205523 F\n0.112480 0.956954 0.794477 F\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-89268",
"created_at": "2022-09-04T14:38:12.172003Z",
"updated_at": "2022-09-04T14:38:12.172029Z",
"structure_string": "Pb8 C4 Br8 O12\n1.0\n8.381912 0.000000 0.000000\n0.000000 8.381912 -0.000000\n-0.000000 -0.000000 9.134068\nPb C Br O\n8 4 8 12\ndirect\n0.161142 0.661142 0.252295 Pb\n0.338858 0.161142 0.252295 Pb\n0.661142 0.838858 0.252295 Pb\n0.661142 0.838858 0.747705 Pb\n0.338858 0.161142 0.747705 Pb\n0.838858 0.338858 0.252295 Pb\n0.161142 0.661142 0.747705 Pb\n0.838858 0.338858 0.747705 Pb\n0.674820 0.174820 0.000000 C\n0.825180 0.674820 0.000000 C\n0.174820 0.325180 0.000000 C\n0.325180 0.825180 0.000000 C\n0.849963 0.650037 0.500000 Br\n0.650037 0.150037 0.500000 Br\n0.349963 0.849963 0.500000 Br\n0.500000 0.500000 0.232992 Br\n0.000000 0.000000 0.767008 Br\n0.500000 0.500000 0.767008 Br\n0.000000 0.000000 0.232992 Br\n0.150037 0.349963 0.500000 Br\n0.625343 0.125343 0.125675 O\n0.125343 0.374657 0.874326 O\n0.874657 0.625343 0.874326 O\n0.874657 0.625343 0.125675 O\n0.125343 0.374657 0.125675 O\n0.714193 0.785807 0.000000 O\n0.785807 0.285807 0.000000 O\n0.285807 0.214193 0.000000 O\n0.214193 0.714193 0.000000 O\n0.374657 0.874657 0.874326 O\n0.374657 0.874657 0.125675 O\n0.625343 0.125343 0.874326 O\n",
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{
"id": "jvasp-87936",
"created_at": "2022-09-04T14:36:12.713133Z",
"updated_at": "2022-09-04T14:36:12.713143Z",
"structure_string": "Sn4 P8 Pb4 O32\n1.0\n4.867701 -0.008464 0.000000\n-0.476812 8.919958 0.000000\n0.000000 0.000000 14.783081\nSn P Pb O\n4 8 4 32\ndirect\n0.763731 0.951145 0.641842 Sn\n0.736269 0.548856 0.141842 Sn\n0.236269 0.048855 0.358158 Sn\n0.263731 0.451145 0.858158 Sn\n0.242024 0.795380 0.523694 P\n0.742024 0.295380 0.976306 P\n0.757976 0.204621 0.476306 P\n0.714724 0.888003 0.235510 P\n0.785277 0.611998 0.735510 P\n0.285277 0.111998 0.764490 P\n0.214723 0.388002 0.264490 P\n0.257976 0.704621 0.023694 P\n0.780534 0.904952 0.902031 Pb\n0.280534 0.404952 0.597968 Pb\n0.219467 0.095048 0.097968 Pb\n0.719467 0.595048 0.402032 Pb\n0.361952 0.285044 0.765981 O\n0.138048 0.214956 0.265981 O\n0.638048 0.714956 0.234019 O\n0.861953 0.785044 0.734019 O\n0.395131 0.413547 0.178331 O\n0.104870 0.086453 0.678331 O\n0.604870 0.586454 0.821669 O\n0.895131 0.913547 0.321669 O\n0.900658 0.337378 0.889444 O\n0.064469 0.533858 0.746134 O\n0.599342 0.162623 0.389444 O\n0.099342 0.662623 0.110556 O\n0.400659 0.837378 0.610556 O\n0.438408 0.338945 0.963541 O\n0.061592 0.161056 0.463541 O\n0.561592 0.661056 0.036459 O\n0.938409 0.838945 0.536459 O\n0.862880 0.376225 0.061864 O\n0.637120 0.123775 0.561864 O\n0.564468 0.033858 0.753865 O\n0.137121 0.623775 0.938136 O\n0.751215 0.373525 0.496276 O\n0.748785 0.126476 0.996275 O\n0.248786 0.626476 0.503724 O\n0.251215 0.873525 0.003724 O\n0.845322 0.944254 0.148404 O\n0.654679 0.555747 0.648404 O\n0.154679 0.055746 0.851596 O\n0.345322 0.444254 0.351596 O\n0.435532 0.966143 0.246135 O\n0.362880 0.876225 0.438136 O\n0.935532 0.466143 0.253865 O\n",
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{
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"structure_string": "Zn16 S16\n1.0\n3.841538 -0.000000 0.000000\n-1.920768 3.326870 -0.000000\n0.000000 -0.000000 50.226267\nZn S\n16 16\ndirect\n0.333333 0.666667 0.624979 Zn\n0.333333 0.666667 0.812378 Zn\n0.666667 0.333333 0.874934 Zn\n-0.000000 -0.000000 0.562495 Zn\n0.333333 0.666667 0.937521 Zn\n0.333333 0.666667 0.437506 Zn\n-0.000000 -0.000000 0.187558 Zn\n0.666667 0.333333 0.687455 Zn\n-0.000000 -0.000000 0.000053 Zn\n0.666667 0.333333 0.312518 Zn\n0.333333 0.666667 0.250034 Zn\n0.666667 0.333333 0.500002 Zn\n0.333333 0.666667 0.062651 Zn\n-0.000000 -0.000000 0.375010 Zn\n0.666667 0.333333 0.125091 Zn\n-0.000000 -0.000000 0.749923 Zn\n-0.000000 -0.000000 0.046990 S\n-0.000000 -0.000000 0.609348 S\n0.333333 0.666667 0.859211 S\n-0.000000 -0.000000 0.421867 S\n0.333333 0.666667 0.671829 S\n-0.000000 -0.000000 0.796765 S\n0.666667 0.333333 0.921867 S\n0.333333 0.666667 0.109476 S\n0.666667 0.333333 0.734301 S\n0.666667 0.333333 0.546859 S\n0.666667 0.333333 0.359373 S\n0.333333 0.666667 0.296886 S\n-0.000000 -0.000000 0.234407 S\n0.666667 0.333333 0.171936 S\n0.333333 0.666667 0.984335 S\n0.333333 0.666667 0.484363 S\n",
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{
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"created_at": "2022-09-04T14:36:49.591805Z",
"updated_at": "2022-09-04T14:36:49.591822Z",
"structure_string": "Na6 Y2 H24 C6 O30\n1.0\n11.271902 -0.000000 0.000000\n-5.635951 9.761753 -0.000000\n0.000000 0.000000 5.835772\nNa Y H C O\n6 2 24 6 30\ndirect\n0.628704 0.638131 0.182521 Na\n0.009427 0.371296 0.182521 Na\n0.361868 -0.009427 0.182521 Na\n0.371296 0.361868 0.682521 Na\n0.638131 0.009427 0.682521 Na\n-0.009427 0.628704 0.682521 Na\n0.333333 0.666667 0.915196 Y\n0.666667 0.333333 0.415196 Y\n-0.023187 0.856996 0.429859 H\n0.023187 0.143003 0.929859 H\n0.775027 0.878537 0.532999 H\n0.504916 0.776091 0.358143 H\n0.495084 0.223909 0.858143 H\n0.121462 0.896489 0.532999 H\n0.880183 0.023187 0.429859 H\n0.728824 0.504916 0.858143 H\n0.776091 0.271175 0.858143 H\n0.878537 0.103510 0.032999 H\n0.224973 0.121462 0.032999 H\n0.856996 0.880183 0.929859 H\n0.143004 0.119817 0.429859 H\n0.896489 0.775027 0.032999 H\n0.271175 0.495084 0.358143 H\n0.223909 0.728824 0.358143 H\n0.413899 0.122809 0.646014 H\n0.586101 0.877190 0.146014 H\n0.708910 0.586101 0.646014 H\n0.291090 0.413899 0.146014 H\n0.103510 0.224973 0.532999 H\n0.119817 -0.023187 0.929859 H\n0.122809 0.708910 0.146014 H\n0.877191 0.291090 0.646014 H\n0.682121 0.116801 0.184292 C\n0.434680 0.317879 0.184292 C\n0.317879 0.883199 0.684292 C\n0.565320 0.682121 0.684292 C\n0.116801 0.434680 0.684292 C\n0.883199 0.565320 0.184292 C\n0.179090 0.021053 0.062011 O\n0.021053 0.841963 0.562011 O\n0.158037 0.179090 0.562011 O\n0.779715 0.267738 0.686459 O\n0.083929 0.493823 0.841294 O\n0.506177 0.590106 0.841294 O\n0.486487 0.238278 0.143007 O\n0.220285 0.732262 0.186459 O\n0.302027 0.972125 0.570901 O\n0.751791 0.513512 0.143007 O\n0.238278 0.751791 0.643007 O\n0.820910 0.978947 0.562011 O\n0.841963 0.820910 0.062011 O\n0.409893 0.916070 0.841294 O\n0.027875 0.329901 0.570901 O\n0.697973 0.027875 0.070901 O\n0.732262 0.511976 0.686459 O\n0.761721 0.248209 0.143007 O\n0.972125 0.670098 0.070901 O\n0.978947 0.158037 0.062011 O\n0.488023 0.220285 0.686459 O\n0.590106 0.083929 0.341294 O\n0.513512 0.761721 0.643007 O\n0.511976 0.779714 0.186459 O\n0.493823 0.409893 0.341294 O\n0.916070 0.506177 0.341294 O\n0.267738 0.488023 0.186459 O\n0.670098 0.697973 0.570901 O\n0.248209 0.486487 0.643007 O\n0.329901 0.302027 0.070901 O\n",
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{
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"structure_string": "Ca8 Sn4 S16\n1.0\n7.094817 -0.000000 0.000000\n0.000000 7.946385 0.000000\n0.000000 0.000000 11.389802\nCa Sn S\n8 4 16\ndirect\n0.094313 -0.000020 0.684443 Ca\n0.405687 0.500019 0.184443 Ca\n0.905687 0.499980 0.315556 Ca\n0.594313 0.000020 0.815556 Ca\n0.905687 0.000020 0.315556 Ca\n0.594313 0.499980 0.815556 Ca\n0.094313 0.500019 0.684443 Ca\n0.405687 -0.000020 0.184443 Ca\n0.499968 0.250000 0.499988 Sn\n0.000032 0.250000 -0.000012 Sn\n0.500032 0.750000 0.500012 Sn\n-0.000032 0.750000 0.000012 Sn\n0.738267 0.499998 0.551660 S\n0.761733 0.000002 0.051660 S\n0.738267 0.000002 0.551660 S\n0.761733 0.499998 0.051660 S\n0.261733 0.500001 0.448339 S\n0.238267 -0.000002 0.948339 S\n0.625903 0.250000 0.294121 S\n0.625944 0.750000 0.294136 S\n0.374097 0.750000 0.705879 S\n0.125903 0.750000 0.205879 S\n0.374056 0.250000 0.705863 S\n0.125944 0.250000 0.205863 S\n0.238267 0.500001 0.948339 S\n0.874056 0.750000 0.794136 S\n0.874097 0.250000 0.794121 S\n0.261733 -0.000002 0.448339 S\n",
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{
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