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{
"id": "jvasp-87961",
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"structure_string": "Tl4 Sb12 S20\n1.0\n7.281411 0.071171 0.000000\n-3.521846 8.206552 0.000000\n0.000000 0.000000 15.827501\nTl Sb S\n4 12 20\ndirect\n0.984423 0.960909 0.764888 Tl\n0.984424 0.460909 0.735112 Tl\n0.015575 0.539090 0.264888 Tl\n0.015576 0.039090 0.235112 Tl\n0.470239 0.607770 0.902818 Sb\n0.529760 0.892230 0.402818 Sb\n0.529760 0.392230 0.097182 Sb\n0.470239 0.107770 0.597182 Sb\n0.003815 0.723725 0.994715 Sb\n0.996184 0.276275 0.005285 Sb\n0.003815 0.223725 0.505285 Sb\n0.499812 0.574555 0.627070 Sb\n0.500187 0.925445 0.127071 Sb\n0.500187 0.425445 0.372929 Sb\n0.499812 0.074555 0.872929 Sb\n0.996184 0.776275 0.494715 Sb\n0.717048 0.235863 0.157679 S\n0.282952 0.264136 0.657679 S\n0.676086 0.112328 0.731229 S\n0.778141 0.895496 0.563045 S\n0.323914 0.387672 0.231229 S\n0.323913 0.887671 0.268771 S\n0.676085 0.612328 0.768771 S\n0.218606 0.329462 0.872494 S\n0.781394 0.170538 0.372494 S\n0.781393 0.670538 0.127506 S\n0.282952 0.764136 0.842321 S\n0.218605 0.829462 0.627506 S\n0.252388 0.010011 0.052919 S\n0.252387 0.510011 0.447081 S\n0.747611 0.989989 0.947081 S\n0.778141 0.395496 0.936955 S\n0.221858 0.104504 0.436955 S\n0.221858 0.604504 0.063045 S\n0.747612 0.489989 0.552919 S\n0.717047 0.735863 0.342321 S\n",
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{
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"updated_at": "2022-09-04T14:36:03.295050Z",
"structure_string": "Ba4 Li4 Al4 F24\n1.0\n5.403288 -0.011770 0.000000\n-0.070590 8.502301 0.000000\n0.000000 0.000000 10.074523\nBa Li Al F\n4 4 4 24\ndirect\n0.698433 0.500824 0.807897 Ba\n0.301567 0.499176 0.192103 Ba\n0.698433 0.000824 0.692102 Ba\n0.301567 -0.000824 0.307897 Ba\n0.234181 0.179797 0.915568 Li\n0.765820 0.320203 0.415568 Li\n0.765820 0.820203 0.084432 Li\n0.234181 0.679797 0.584432 Li\n0.234654 0.770170 0.915724 Al\n0.765346 0.729830 0.415724 Al\n0.765346 0.229830 0.084276 Al\n0.234654 0.270170 0.584276 Al\n0.675871 0.526465 0.403253 F\n0.378272 0.746253 0.750474 F\n0.621728 0.753746 0.250474 F\n0.621728 0.253746 0.249525 F\n0.525801 0.207832 0.507167 F\n0.474199 0.292168 0.007167 F\n0.474199 0.792168 0.492832 F\n0.525801 0.707832 0.992832 F\n0.927167 0.305936 0.646724 F\n0.324130 0.973535 0.903253 F\n0.072833 0.194064 0.146724 F\n0.927167 0.805936 0.853276 F\n0.166318 0.057641 0.589901 F\n0.833683 0.442359 0.089901 F\n0.378272 0.246253 0.749525 F\n0.166318 0.557641 0.910098 F\n0.113150 0.292269 0.413486 F\n0.886851 0.207731 0.913486 F\n0.886851 0.707731 0.586513 F\n0.113150 0.792269 0.086513 F\n0.324130 0.473535 0.596747 F\n0.675871 0.026465 0.096747 F\n0.072833 0.694064 0.353276 F\n0.833683 0.942359 0.410098 F\n",
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{
"id": "jvasp-97661",
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"updated_at": "2022-09-04T14:35:52.578779Z",
"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
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{
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"created_at": "2022-09-04T14:35:59.711116Z",
"updated_at": "2022-09-04T14:35:59.711142Z",
"structure_string": "K2 Zr4 P6 O24\n1.0\n7.805342 -0.011512 5.427675\n2.830553 7.274027 5.427675\n-0.016860 -0.011512 9.506983\nK Zr P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500001 0.499999 K\n0.148845 0.148846 0.148845 Zr\n0.351154 0.351155 0.351154 Zr\n0.851153 0.851155 0.851153 Zr\n0.648845 0.648846 0.648845 Zr\n0.750000 0.036931 0.463069 P\n0.036930 0.463070 0.749999 P\n0.463069 0.750001 0.036930 P\n0.249999 0.963070 0.536930 P\n0.963069 0.536931 0.249999 P\n0.536930 0.250001 0.963069 P\n0.367043 0.239789 0.989099 O\n0.739788 0.867045 0.489099 O\n0.760211 0.010901 0.632955 O\n0.010900 0.632957 0.760211 O\n0.632955 0.760212 0.010900 O\n0.132956 0.510901 0.260211 O\n0.510900 0.260212 0.132956 O\n0.260211 0.132956 0.510900 O\n0.239788 0.989100 0.367043 O\n0.989099 0.367044 0.239788 O\n0.069186 0.294078 0.922545 O\n0.930812 0.705923 0.077454 O\n0.922545 0.069187 0.294077 O\n0.577454 0.205923 0.430813 O\n0.205922 0.430814 0.577454 O\n0.430813 0.577455 0.205922 O\n0.489099 0.739790 0.867043 O\n0.705922 0.077455 0.930812 O\n0.077454 0.930814 0.705922 O\n0.422545 0.794078 0.569186 O\n0.794077 0.569187 0.422544 O\n0.569186 0.422546 0.794077 O\n0.294077 0.922546 0.069186 O\n0.867043 0.489100 0.739788 O\n",
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{
"id": "jvasp-95207",
"created_at": "2022-09-04T14:35:52.927450Z",
"updated_at": "2022-09-04T14:35:52.927466Z",
"structure_string": "Sr2 H12 C8 O14\n1.0\n6.565979 3.185444 -0.944718\n-6.565979 3.185444 0.944718\n0.011571 0.000000 8.426977\nSr H C O\n2 12 8 14\ndirect\n0.986544 0.986544 0.750000 Sr\n0.013455 0.013455 0.250000 Sr\n0.449797 0.538810 0.677895 H\n0.538810 0.449797 0.822105 H\n0.550202 0.461189 0.322105 H\n0.461189 0.550202 0.177895 H\n0.135719 0.412888 0.478920 H\n0.412888 0.135719 0.021080 H\n0.587111 0.864279 0.978920 H\n0.110910 0.492531 0.638212 H\n0.492531 0.110910 0.861789 H\n0.889088 0.507467 0.361789 H\n0.507467 0.889088 0.138212 H\n0.864279 0.587111 0.521081 H\n0.551010 0.013191 0.621455 C\n0.448989 0.986808 0.378545 C\n0.986808 0.448989 0.121455 C\n0.013190 0.551010 0.878545 C\n0.386724 0.033765 0.518469 C\n0.033765 0.386724 0.981532 C\n0.613275 0.966234 0.481532 C\n0.966234 0.613275 0.018468 C\n0.969700 0.378761 0.267915 O\n0.378761 0.969700 0.232085 O\n0.246051 0.072965 0.533740 O\n0.072965 0.246051 0.966260 O\n0.753948 0.927034 0.466260 O\n0.927034 0.753948 0.033740 O\n0.410699 0.410699 0.250000 O\n0.589300 0.589300 0.750000 O\n0.405207 0.156978 0.903380 O\n0.156978 0.405207 0.596620 O\n0.594792 0.843021 0.096620 O\n0.843021 0.594792 0.403380 O\n0.621238 0.030299 0.767915 O\n0.030299 0.621238 0.732085 O\n",
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"structure_string": "Mn4 I8 O24\n1.0\n4.896125 0.000000 0.000000\n0.000000 9.690136 -5.612968\n0.000000 -0.032106 11.178680\nMn I O\n4 8 24\ndirect\n0.310518 0.509661 0.755405 Mn\n0.810519 0.490339 0.244595 Mn\n0.810454 0.990334 0.244567 Mn\n0.310453 0.009666 0.755432 Mn\n0.245569 0.667879 0.099359 I\n0.245613 0.167879 0.099378 I\n0.255407 0.664367 0.568529 I\n0.255346 0.164354 0.568547 I\n0.745570 0.332121 0.900640 I\n0.755346 0.835646 0.431453 I\n0.755407 0.335633 0.431471 I\n0.745614 0.832121 0.900622 I\n0.093657 0.643904 0.935808 O\n0.033207 0.318139 0.224456 O\n0.049813 0.028995 0.107245 O\n0.071593 0.049430 0.617756 O\n0.049801 0.528979 0.107207 O\n0.081728 0.827594 0.697702 O\n0.033846 0.632390 0.419638 O\n0.549801 0.471021 0.892793 O\n0.581733 0.672394 0.302297 O\n0.533773 0.867648 0.580349 O\n0.093630 0.143903 0.935840 O\n0.533089 0.181887 0.775585 O\n0.533207 0.681861 0.775543 O\n0.571594 0.950570 0.382244 O\n0.071727 0.549396 0.617702 O\n0.533846 0.367610 0.580362 O\n0.081732 0.327606 0.697702 O\n0.549814 0.971005 0.892755 O\n0.593657 0.356096 0.064192 O\n0.571728 0.450604 0.382298 O\n0.033773 0.132352 0.419651 O\n0.593631 0.856097 0.064160 O\n0.581729 0.172406 0.302298 O\n0.033089 0.818113 0.224415 O\n",
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{
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"structure_string": "Ca8 Mn4 Ga4 O20\n1.0\n5.349898 -0.000003 -0.000001\n0.000003 5.580949 0.000004\n0.000001 -0.000007 14.917796\nCa Mn Ga O\n8 4 4 20\ndirect\n0.018507 0.525284 0.608554 Ca\n0.981488 0.474717 0.108555 Ca\n0.518508 0.974717 0.608554 Ca\n0.481488 0.025284 0.108556 Ca\n0.518511 0.974716 0.891445 Ca\n0.018509 0.525284 0.891445 Ca\n0.981488 0.474717 0.391445 Ca\n0.481490 0.025283 0.391446 Ca\n0.000000 -0.000002 0.500000 Mn\n0.499999 0.499998 0.500000 Mn\n0.499998 0.499999 -0.000000 Mn\n-0.000001 0.000001 0.000000 Mn\n0.047025 0.065664 0.749999 Ga\n0.952976 0.934339 0.250001 Ga\n0.547026 0.434337 0.750000 Ga\n0.452976 0.565664 0.250000 Ga\n0.738018 0.763455 0.015059 O\n0.901914 0.379023 0.750000 O\n0.965324 0.925952 0.642124 O\n0.465325 0.574052 0.642125 O\n0.098088 0.620980 0.250001 O\n0.261981 0.236544 0.984941 O\n0.034679 0.074052 0.357876 O\n0.761981 0.263454 0.984941 O\n0.238020 0.736548 0.484940 O\n0.965323 0.925948 0.857873 O\n0.238016 0.736545 0.015059 O\n0.738021 0.763451 0.484940 O\n0.598090 0.879021 0.250001 O\n0.534677 0.425946 0.357875 O\n0.261976 0.236549 0.515060 O\n0.401914 0.120979 0.750000 O\n0.034680 0.074053 0.142128 O\n0.465326 0.574051 0.857875 O\n0.761976 0.263449 0.515058 O\n0.534676 0.425950 0.142126 O\n",
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{
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