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{
"id": "jvasp-53582",
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"structure_string": "Yb2 Pr4 S8\n1.0\n7.005950 0.000000 -2.454731\n-3.513463 6.049166 -2.484393\n0.020974 0.000000 7.423517\nYb Pr S\n2 4 8\ndirect\n0.125000 0.750000 0.875001 Yb\n0.375000 0.250000 0.625000 Yb\n0.250000 0.628017 0.378018 Pr\n0.621983 0.371983 0.250000 Pr\n0.750001 0.871984 0.121984 Pr\n0.878017 0.128017 0.750000 Pr\n0.003469 0.855653 0.500565 S\n0.147816 0.144348 0.144913 S\n0.352183 0.497097 0.996532 S\n0.644913 0.644348 0.647817 S\n0.496532 0.997097 0.852185 S\n0.499435 0.002903 0.355087 S\n0.855087 0.502904 0.999436 S\n0.000564 0.355653 0.503469 S\n",
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{
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"structure_string": "Mg2 Sc4 S8\n1.0\n6.526797 -0.000000 3.768248\n2.175599 6.153524 3.768248\n0.000000 -0.000000 7.536497\nMg Sc S\n2 4 8\ndirect\n0.875001 0.874999 0.875001 Mg\n0.125000 0.125000 0.125000 Mg\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.257652 0.257652 0.727045 S\n0.742349 0.742348 0.742349 S\n0.742349 0.742348 0.272955 S\n0.257652 0.727045 0.257652 S\n0.257652 0.257652 0.257652 S\n0.272955 0.742348 0.742349 S\n0.742348 0.272955 0.742348 S\n0.727045 0.257652 0.257652 S\n",
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{
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"updated_at": "2022-09-04T14:37:04.032514Z",
"structure_string": "Hg4 Mo2 O8\n1.0\n4.798086 0.029777 -1.283275\n-2.550540 6.589020 -2.078526\n0.015632 0.054746 7.364609\nHg Mo O\n4 2 8\ndirect\n0.516899 0.249167 0.467944 Hg\n0.983103 0.532058 0.750834 Hg\n0.483102 0.750834 0.532057 Hg\n0.016898 0.467944 0.249166 Hg\n0.250000 0.100179 0.899822 Mo\n0.750001 0.899822 0.100179 Mo\n0.704757 0.949541 0.335162 O\n0.295244 0.050460 0.664839 O\n0.853242 0.915900 0.818367 O\n0.353242 0.818367 0.915899 O\n0.204757 0.335162 0.949541 O\n0.646759 0.181634 0.084102 O\n0.146759 0.084101 0.181633 O\n0.795244 0.664839 0.050460 O\n",
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{
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"created_at": "2022-09-04T14:37:04.028543Z",
"updated_at": "2022-09-04T14:37:04.028560Z",
"structure_string": "Rb6 Er2 O6\n1.0\n7.181695 0.056529 0.130766\n3.019982 6.516108 -0.130766\n-0.769696 1.194678 7.008053\nRb Er O\n6 2 6\ndirect\n0.200648 0.200649 0.500000 Rb\n0.259803 0.259803 0.000000 Rb\n0.361256 0.638744 0.639532 Rb\n0.638744 0.361257 0.360467 Rb\n0.740197 0.740198 0.000000 Rb\n0.799351 0.799352 0.500000 Rb\n0.179257 0.820743 0.146661 Er\n0.820742 0.179258 0.853338 Er\n0.167806 0.550850 0.268063 O\n0.098427 0.901572 0.839298 O\n0.550849 0.167807 0.731937 O\n0.449150 0.832194 0.268063 O\n0.901572 0.098429 0.160702 O\n0.832193 0.449151 0.731937 O\n",
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{
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"created_at": "2022-09-04T14:36:45.932767Z",
"updated_at": "2022-09-04T14:36:45.932777Z",
"structure_string": "Ba2 In4 Te8\n1.0\n7.068653 0.083794 0.000000\n-3.437405 6.177146 0.000000\n0.000000 0.000000 12.265475\nBa In Te\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.239498 0.764337 0.500000 In\n0.760503 0.235663 0.500000 In\n0.235664 0.760503 0.000000 In\n0.764337 0.239497 0.000000 In\n0.500000 -0.000000 0.319657 Te\n0.000001 0.500000 0.180343 Te\n0.662522 0.802317 0.000000 Te\n0.337479 0.197683 0.000000 Te\n0.802317 0.662521 0.500000 Te\n0.197683 0.337479 0.500000 Te\n0.500000 -0.000000 0.680343 Te\n0.000001 0.500000 0.819657 Te\n",
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{
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"created_at": "2022-09-04T14:36:45.799458Z",
"updated_at": "2022-09-04T14:36:45.799477Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n4.897172 -0.071606 -0.000000\n1.803202 4.553666 -0.000000\n0.000000 0.000000 6.190348\nLi Cu P O\n2 2 2 8\ndirect\n0.327105 0.327106 0.750000 Li\n0.672894 0.672894 0.250000 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.349257 0.349257 0.250000 P\n0.650742 0.650743 0.750000 P\n0.242236 0.242237 0.044014 O\n0.242236 0.242237 0.455986 O\n0.245181 0.691658 0.250000 O\n0.308342 0.754819 0.750000 O\n0.691657 0.245181 0.250000 O\n0.754818 0.308342 0.750000 O\n0.757763 0.757763 0.955987 O\n0.757763 0.757763 0.544014 O\n",
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{
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"created_at": "2022-09-04T14:37:08.140398Z",
"updated_at": "2022-09-04T14:37:08.140425Z",
"structure_string": "Y2 Fe4 O8\n1.0\n5.414823 0.046991 3.056677\n1.806350 5.104862 3.056677\n0.065866 0.046991 6.217656\nY Fe O\n2 4 8\ndirect\n0.627336 0.627335 0.627337 Y\n0.372664 0.372664 0.372665 Y\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.205118 0.774233 0.774235 O\n0.225767 0.225766 0.794884 O\n0.225766 0.794882 0.225767 O\n0.235151 0.235151 0.235151 O\n0.774234 0.774233 0.205119 O\n0.794883 0.225766 0.225767 O\n0.774234 0.205117 0.774235 O\n0.764849 0.764848 0.764851 O\n",
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{
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"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
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"structure_string": "Cr4 O10\n1.0\n3.563120 -0.000028 0.000002\n-0.000051 4.551641 -0.000001\n0.000011 -0.000002 11.086840\nCr O\n4 10\ndirect\n0.018564 0.880892 0.150891 Cr\n0.518576 0.119136 0.349108 Cr\n0.518564 0.119106 0.650892 Cr\n0.018577 0.880867 0.849107 Cr\n0.518569 0.993628 0.182346 O\n0.018572 0.006411 0.317651 O\n0.018564 0.006368 0.682346 O\n0.518577 0.993593 0.817651 O\n0.018582 0.534951 0.853151 O\n0.518562 0.465018 0.646856 O\n0.518579 0.465052 0.353158 O\n0.518572 0.010883 0.499998 O\n0.018569 -0.010883 -0.000002 O\n0.018564 0.534979 0.146849 O\n",
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{
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"created_at": "2022-09-04T14:37:03.912120Z",
"updated_at": "2022-09-04T14:37:03.912141Z",
"structure_string": "Rb3 Sb2 Br9\n1.0\n3.883092 -6.725713 -0.000000\n3.883092 6.725713 0.000000\n0.000000 0.000000 9.650579\nRb Sb Br\n3 2 9\ndirect\n0.000000 0.000000 0.000000 Rb\n0.666667 0.333333 0.332950 Rb\n0.333333 0.666667 0.667050 Rb\n0.666667 0.333333 0.806440 Sb\n0.333333 0.666667 0.193560 Sb\n0.835506 0.671013 0.657908 Br\n0.835506 0.164493 0.657908 Br\n0.328986 0.164493 0.657908 Br\n0.671013 0.835506 0.342092 Br\n0.164493 0.835506 0.342092 Br\n0.500000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.164493 0.328986 0.342092 Br\n",
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{
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"created_at": "2022-09-04T14:37:03.906104Z",
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"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
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}