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{
"id": "jvasp-44144",
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"structure_string": "Mn6 O10 F2\n1.0\n-4.575930 4.575930 2.915683\n-0.076726 4.498672 -2.915508\n-4.498672 0.076726 -2.915508\nMn O F\n6 10 2\ndirect\n0.820616 0.662333 0.662333 Mn\n0.666667 0.333333 0.333333 Mn\n0.345387 0.648083 0.648083 Mn\n0.166667 0.333333 0.333333 Mn\n0.512717 0.004335 0.004335 Mn\n0.987947 0.018585 0.018585 Mn\n0.000188 0.700329 0.307632 O\n0.000188 0.307632 0.700329 O\n0.666667 0.637287 0.029380 O\n0.333145 0.966337 0.359036 O\n0.374208 0.427882 0.427882 O\n0.631370 0.560579 0.560579 O\n0.959124 0.238786 0.238786 O\n0.333145 0.359036 0.966337 O\n0.666667 0.029380 0.637287 O\n0.701962 0.106088 0.106088 O\n0.298508 0.895452 0.895452 F\n0.034824 0.771217 0.771217 F\n",
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{
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"structure_string": "Mn6 O2 F10\n1.0\n0.000000 6.944502 0.001359\n3.214771 0.000000 0.000000\n0.000000 -3.472679 -9.953817\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.825779 0.500000 0.651569 Mn\n0.500000 0.500000 -0.000000 Mn\n0.649004 0.000000 0.298049 Mn\n0.350995 0.000000 0.701952 Mn\n0.174221 0.500000 0.348431 Mn\n0.406905 0.500000 0.813682 O\n0.593094 0.500000 0.186318 O\n0.974179 0.000000 0.339578 F\n0.277183 0.500000 0.554464 F\n0.722816 0.500000 0.445536 F\n0.365440 0.000000 0.339654 F\n0.931427 0.500000 0.862965 F\n0.025821 0.000000 0.660422 F\n0.303605 0.000000 0.999946 F\n0.634559 0.000000 0.660346 F\n0.696395 0.000000 0.000054 F\n0.068572 0.500000 0.137035 F\n",
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{
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"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
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{
"id": "jvasp-21609",
"created_at": "2022-09-04T14:38:30.391697Z",
"updated_at": "2022-09-04T14:38:30.391737Z",
"structure_string": "Ba2 Ce4 Mn2 S10\n1.0\n7.002324 -0.000000 -3.481688\n-1.731161 6.784956 -3.481688\n-0.015387 -0.019806 8.751387\nBa Ce Mn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.342132 0.157868 -0.000000 Ce\n0.157868 0.657869 0.000000 Ce\n0.657868 0.842132 -0.000000 Ce\n0.842131 0.342131 1.000000 Ce\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.500000 0.500000 -0.000000 S\n0.481936 0.981936 0.268141 S\n0.981935 0.786206 0.268141 S\n0.286205 0.481936 0.268141 S\n0.018064 0.213794 0.731859 S\n0.713794 0.518064 0.731858 S\n0.518064 0.018064 0.731858 S\n0.213794 0.713794 0.731859 S\n0.786205 0.286206 0.268141 S\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-46690",
"created_at": "2022-09-04T14:38:07.223127Z",
"updated_at": "2022-09-04T14:38:07.223148Z",
"structure_string": "V6 O6 F6\n1.0\n5.920527 0.005686 0.008309\n-1.050862 5.826426 0.005899\n-1.052300 -1.258071 5.688478\nV O F\n6 6 6\ndirect\n0.397176 0.853293 0.664936 V\n0.146708 0.335072 0.602804 V\n0.335078 0.602820 0.146709 V\n0.664923 0.397182 0.853291 V\n0.853293 0.664930 0.397196 V\n0.602825 0.146708 0.335064 V\n0.822469 0.425617 0.588051 O\n0.574370 0.411945 0.177536 O\n0.411945 0.177533 0.574383 O\n0.588056 0.822469 0.425617 O\n0.425631 0.588057 0.822464 O\n0.177533 0.574384 0.411949 O\n0.932887 0.100592 0.329491 F\n0.899415 0.670505 0.067122 F\n0.670510 0.067123 0.899424 F\n0.329491 0.932879 0.100576 F\n0.100587 0.329496 0.932879 F\n0.067115 0.899409 0.670510 F\n",
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{
"id": "jvasp-52210",
"created_at": "2022-09-04T14:38:28.279346Z",
"updated_at": "2022-09-04T14:38:28.279366Z",
"structure_string": "Cu6 O1 F11\n1.0\n4.621900 0.006927 0.010040\n0.065170 5.441001 -0.019780\n0.264553 0.382677 8.160592\nCu O F\n6 1 11\ndirect\n0.003261 0.998950 -0.000567 Cu\n0.523179 0.496878 0.984134 Cu\n0.983027 0.343218 0.674114 Cu\n0.506768 0.820184 0.668703 Cu\n0.495383 0.169627 0.335682 Cu\n0.002156 0.665915 0.330406 Cu\n0.696873 0.541632 0.764650 O\n0.704185 0.197571 0.092675 F\n0.309171 0.464021 0.229991 F\n0.696982 0.872008 0.427792 F\n0.793770 0.373892 0.414869 F\n0.789313 0.047410 0.756692 F\n0.287440 0.126383 0.583274 F\n0.299758 0.800539 0.906213 F\n0.205027 0.962228 0.250635 F\n0.203100 0.292685 0.913853 F\n0.193452 0.623299 0.574343 F\n0.807145 0.703566 0.092536 F\n",
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{
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"created_at": "2022-09-04T14:38:06.883378Z",
"updated_at": "2022-09-04T14:38:06.883392Z",
"structure_string": "Mn6 O4 F8\n1.0\n0.000000 5.690440 -0.046812\n4.671536 0.000000 0.000000\n0.000000 -0.423674 -7.896311\nMn O F\n6 4 8\ndirect\n0.571981 0.496128 0.852528 Mn\n0.226560 0.489021 0.497914 Mn\n0.900399 0.532824 0.175604 Mn\n0.773441 0.989021 0.502085 Mn\n0.428020 0.996128 0.147471 Mn\n0.099602 0.032824 0.824396 Mn\n0.614995 0.694391 0.068722 O\n0.957723 0.693825 0.395716 O\n0.042277 0.193825 0.604284 O\n0.385006 0.194390 0.931277 O\n0.110134 0.800239 0.046042 F\n0.713211 0.202682 0.271945 F\n0.889867 0.300238 0.953957 F\n0.544492 0.301076 0.602992 F\n0.214548 0.289819 0.250968 F\n0.286790 0.702682 0.728055 F\n0.455509 0.801077 0.397007 F\n0.785453 0.789819 0.749031 F\n",
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{
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"updated_at": "2022-09-04T14:38:16.311030Z",
"structure_string": "H12 C2 I2 N2\n1.0\n0.000000 5.013888 0.161707\n5.116281 0.000000 0.000000\n0.000000 -0.305702 -8.871762\nH C I N\n12 2 2 2\ndirect\n0.896097 0.250000 0.842252 H\n0.183761 0.925566 0.412581 H\n0.495216 0.750000 0.427007 H\n0.183761 0.574433 0.412581 H\n0.396745 0.585755 0.174706 H\n0.103904 0.750000 0.157747 H\n0.396745 0.914245 0.174706 H\n0.504785 0.250000 0.572992 H\n0.816240 0.425566 0.587418 H\n0.603256 0.085755 0.825294 H\n0.603256 0.414245 0.825294 H\n0.816240 0.074434 0.587418 H\n0.711095 0.250000 0.621982 C\n0.288906 0.750000 0.378017 C\n0.775794 0.250000 0.191061 I\n0.224207 0.750000 0.808939 I\n0.705947 0.250000 0.789291 N\n0.294054 0.750000 0.210708 N\n",
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{
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"updated_at": "2022-09-04T14:38:07.184984Z",
"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
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{
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"created_at": "2022-09-04T14:38:27.456289Z",
"updated_at": "2022-09-04T14:38:27.456302Z",
"structure_string": "Nd5 As2 Cl1 O10\n1.0\n5.421912 0.000057 1.833134\n2.176865 6.031681 2.496569\n0.010420 0.042824 8.904590\nNd As Cl O\n5 2 1 10\ndirect\n0.500735 0.705755 0.292783 Nd\n0.253415 0.363177 0.130008 Nd\n0.000000 0.000000 0.000000 Nd\n0.746584 0.636822 0.869992 Nd\n0.499264 0.294244 0.707217 Nd\n0.213819 0.968261 0.604091 As\n0.786180 0.031739 0.395909 As\n-0.000000 0.500000 0.500000 Cl\n0.132509 0.325477 0.915799 O\n0.376593 0.966320 0.751777 O\n0.626216 0.325474 0.915798 O\n0.373783 0.674526 0.084202 O\n0.867490 0.674523 0.084201 O\n0.359111 0.683164 0.598663 O\n0.905316 0.966315 0.751786 O\n0.623406 0.033680 0.248223 O\n0.640888 0.316835 0.401337 O\n0.094683 0.033685 0.248214 O\n",
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{
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"created_at": "2022-09-04T14:38:05.981262Z",
"updated_at": "2022-09-04T14:38:05.981282Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.682738 0.000000 0.000000\n0.000000 4.682738 0.000000\n0.000000 -0.000000 9.228693\nFe O F\n6 4 8\ndirect\n0.000000 0.500000 0.108810 Fe\n0.000000 0.500000 0.391184 Fe\n0.000000 0.500000 0.749996 Fe\n0.500000 0.000000 0.250004 Fe\n0.500000 0.000000 0.891190 Fe\n0.500000 0.000000 0.608816 Fe\n0.786408 0.286408 0.249995 O\n0.286408 0.213592 0.750004 O\n0.213592 0.713592 0.249995 O\n0.713592 0.786408 0.750004 O\n0.805666 0.305666 0.924055 F\n0.194336 0.694336 0.575939 F\n0.194334 0.694335 0.924055 F\n0.694335 0.805666 0.075945 F\n0.694336 0.805664 0.424061 F\n0.305666 0.194334 0.075945 F\n0.305664 0.194336 0.424061 F\n0.805664 0.305664 0.575939 F\n",
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}