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{
"id": "jvasp-118081",
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"structure_string": "S1 N1 Cl1\n1.0\n4.263858 -0.000000 0.000000\n-2.131929 3.692609 -0.000000\n-0.000000 -0.000000 2.910751\nS N Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 S\n0.333332 0.666666 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Li1 Mn2 O4\n1.0\n0.000000 4.888368 0.041851\n2.847964 0.000000 0.000000\n0.000000 -1.603823 -4.866984\nLi Mn O\n1 2 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.499999 0.000000 Mn\n0.267705 0.000000 0.790674 O\n0.756381 0.499999 0.783015 O\n0.732296 0.000000 0.209325 O\n0.243620 0.499999 0.216985 O\n",
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{
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"structure_string": "Pr2 Ti4 O12\n1.0\n0.000000 5.442006 -0.000643\n7.734453 0.000000 0.000000\n0.000000 -0.000735 -5.512663\nPr Ti O\n2 4 12\ndirect\n0.990104 0.500000 0.043214 Pr\n0.490104 0.000000 0.456791 Pr\n0.994315 0.750763 0.514446 Ti\n0.994315 0.249237 0.514446 Ti\n0.494313 0.250766 0.985559 Ti\n0.494313 0.749233 0.985559 Ti\n0.232563 0.769530 0.231559 O\n0.283803 0.216666 0.716192 O\n0.283803 0.783334 0.716192 O\n0.438613 0.500000 0.992663 O\n0.539428 0.000000 0.008316 O\n0.783804 0.283331 0.783808 O\n0.732564 0.269531 0.268445 O\n0.232563 0.230469 0.231559 O\n0.783804 0.716669 0.783808 O\n0.938612 0.000000 0.507338 O\n0.732564 0.730469 0.268445 O\n0.039425 0.500000 0.491692 O\n",
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{
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"created_at": "2022-09-04T14:36:43.498584Z",
"updated_at": "2022-09-04T14:36:43.498609Z",
"structure_string": "Li1 Mn2 Ni1 O6\n1.0\n-2.895155 0.035723 -0.019118\n-0.081738 -5.772909 0.074078\n1.427886 1.550664 6.014917\nLi Mn Ni O\n1 2 1 6\ndirect\n0.500000 0.000001 0.500000 Li\n0.169928 0.820027 0.838492 Mn\n0.830073 0.179974 0.161508 Mn\n0.500000 0.500001 0.500000 Ni\n0.983669 0.259577 0.469990 O\n0.327762 0.952565 0.155240 O\n0.016332 0.740424 0.530011 O\n0.342141 0.400276 0.186368 O\n0.672239 0.047436 0.844760 O\n0.657860 0.599726 0.813632 O\n",
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{
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"updated_at": "2022-09-04T14:35:47.643860Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.530531 -0.015064 0.015042\n0.074127 5.506425 0.001196\n0.102275 0.389827 7.566477\nMn O F\n6 7 5\ndirect\n0.462596 0.480437 0.986322 Mn\n0.518393 0.160373 0.333159 Mn\n0.522613 0.819830 0.663697 Mn\n0.990923 0.678583 0.323128 Mn\n0.960291 0.347356 0.673877 Mn\n0.012727 0.009670 0.019126 Mn\n0.206188 0.709724 0.104360 O\n0.304284 0.199048 0.115076 O\n0.302369 0.538380 0.759207 O\n0.803680 0.285711 0.904843 O\n0.807625 0.970986 0.230947 O\n0.792305 0.631475 0.544070 O\n0.692257 0.123384 0.564876 O\n0.202691 0.373079 0.429362 F\n0.727742 0.794940 0.912532 F\n0.700609 0.480722 0.216774 F\n0.273945 0.872271 0.436260 F\n0.218773 0.024036 0.782388 F\n",
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{
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"created_at": "2022-09-04T14:38:03.775523Z",
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"structure_string": "Mn6 O7 F5\n1.0\n4.561620 -0.006888 0.011637\n0.083946 5.515023 0.032006\n0.049813 0.417434 7.643558\nMn O F\n6 7 5\ndirect\n0.487747 0.498681 0.996852 Mn\n0.545993 0.177117 0.344782 Mn\n0.510537 0.818833 0.655405 Mn\n0.972531 0.666505 0.317747 Mn\n0.978242 0.352469 0.679568 Mn\n0.993760 0.001818 0.011162 Mn\n0.185867 0.704842 0.099659 O\n0.307950 0.537164 0.765288 O\n0.701559 0.126209 0.568137 O\n0.808528 0.290228 0.907621 O\n0.795442 0.962588 0.233188 O\n0.805673 0.629888 0.551064 O\n0.691951 0.462405 0.228005 O\n0.204758 0.371134 0.431803 F\n0.710533 0.804791 0.895244 F\n0.285765 0.875622 0.422672 F\n0.301190 0.189656 0.119278 F\n0.211975 0.030040 0.772535 F\n",
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{
"id": "jvasp-118996",
"created_at": "2022-09-04T14:38:32.019774Z",
"updated_at": "2022-09-04T14:38:32.019805Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.830087 0.000000 0.000000\n-0.000000 5.604808 1.257131\n-0.000000 -0.058381 13.391044\nLi Mn Co O\n7 4 1 12\ndirect\n0.500000 0.834581 0.822624 Li\n0.500000 0.490457 0.524851 Li\n0.500000 0.175673 0.155310 Li\n0.000000 0.164982 0.664734 Li\n0.000000 0.819334 0.352298 Li\n0.000000 0.509327 0.980914 Li\n0.000000 0.665818 0.669705 Li\n0.000000 0.009258 0.990275 Mn\n0.500000 0.985971 0.516863 Mn\n0.000000 0.329797 0.342589 Mn\n0.500000 0.664668 0.160904 Mn\n0.500000 0.358243 0.811327 Co\n0.500000 0.778772 0.991213 O\n0.500000 0.406082 0.673392 O\n0.500000 0.094475 0.349348 O\n0.000000 0.095977 0.847277 O\n0.000000 0.769566 0.504242 O\n0.000000 0.434176 0.165314 O\n0.500000 0.921276 0.652918 O\n0.500000 0.563567 0.335645 O\n0.500000 0.227717 0.001134 O\n0.000000 0.223045 0.506760 O\n0.000000 0.903269 0.149054 O\n0.000000 0.573978 0.831303 O\n",
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{
"id": "jvasp-25631",
"created_at": "2022-09-04T14:37:39.890888Z",
"updated_at": "2022-09-04T14:37:39.890907Z",
"structure_string": "Na4 Nb8 P4 S40\n1.0\n7.454335 -0.000000 -2.360225\n-0.078552 13.033175 -0.248090\n0.017852 -0.065578 13.008063\nNa Nb P S\n4 8 4 40\ndirect\n0.937790 0.886294 0.884681 Na\n0.053110 0.613705 0.115319 Na\n0.946889 0.386294 0.884681 Na\n0.062209 0.113705 0.115319 Na\n0.418709 0.488042 0.716600 Nb\n0.297892 0.988042 0.716600 Nb\n0.572916 0.221259 0.282263 Nb\n0.427084 0.778740 0.717736 Nb\n0.290652 0.278740 0.717736 Nb\n0.702108 0.011957 0.283399 Nb\n0.709347 0.721259 0.282263 Nb\n0.581290 0.511957 0.283399 Nb\n0.205344 0.369290 0.207424 P\n0.002080 0.869290 0.207424 P\n-0.002080 0.130709 0.792576 P\n0.794655 0.630709 0.792575 P\n0.419136 0.904109 0.573536 S\n0.494337 0.134673 0.683955 S\n0.154400 0.404110 0.573537 S\n0.310297 0.423259 0.864926 S\n0.662149 0.369983 0.423610 S\n0.048865 0.738711 0.297919 S\n0.583029 0.636030 0.860162 S\n0.401525 0.356269 0.572015 S\n0.319453 0.853169 0.866243 S\n0.546789 0.353169 0.866242 S\n0.144242 0.872086 0.102099 S\n0.680546 0.146830 0.133757 S\n0.189618 0.634673 0.683955 S\n0.845599 0.595890 0.426463 S\n0.810382 0.365326 0.316044 S\n0.277133 0.136031 0.860162 S\n0.042143 0.627913 0.897901 S\n0.855757 0.127913 0.897900 S\n0.951134 0.261289 0.702081 S\n0.689702 0.576741 0.135073 S\n0.829510 0.143730 0.427984 S\n0.260091 0.501267 0.302357 S\n0.238539 0.130017 0.576389 S\n0.722867 0.863969 0.139837 S\n0.337851 0.630017 0.576389 S\n0.170489 0.856269 0.572016 S\n0.739908 0.498732 0.697642 S\n0.957734 0.998732 0.697642 S\n0.416971 0.363969 0.139838 S\n0.580863 0.095890 0.426463 S\n0.453210 0.646830 0.133757 S\n0.761461 0.869982 0.423610 S\n0.042266 0.001268 0.302357 S\n0.554628 0.923259 0.864926 S\n0.957857 0.372086 0.102099 S\n0.249053 0.238711 0.297918 S\n0.598474 0.643730 0.427984 S\n0.505663 0.865326 0.316045 S\n0.750946 0.761288 0.702081 S\n0.445371 0.076741 0.135074 S\n",
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{
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"structure_string": "K1 Ba3 Y2 Co6 O16\n1.0\n5.344507 0.022442 -10.780124\n-0.273276 5.337563 -10.780124\n-0.021233 -0.022442 12.032223\nK Ba Y Co O\n1 3 2 6 16\ndirect\n0.413872 0.413871 -0.000000 K\n0.913572 0.913572 -0.000000 Ba\n0.085338 0.085338 -0.000000 Ba\n0.582959 0.582959 -0.000000 Ba\n0.750237 0.750237 -0.000000 Y\n0.252544 0.252544 -0.000000 Y\n0.495920 0.995919 0.500000 Co\n0.995920 0.495920 0.500000 Co\n0.671831 0.171830 0.500000 Co\n0.830505 0.330504 0.500000 Co\n0.330504 0.830504 0.500000 Co\n0.171830 0.671830 0.500000 Co\n0.438676 0.438675 0.499093 O\n0.751661 0.751660 0.503859 O\n0.247803 0.247802 0.496141 O\n0.939582 0.438675 0.000000 O\n0.438675 0.939582 -0.000001 O\n0.939582 0.939582 0.500906 O\n0.060515 0.563459 -0.000000 O\n0.911677 0.411676 0.500000 O\n0.060515 0.060515 0.497056 O\n0.563460 0.563459 0.502944 O\n0.589112 0.089111 0.500000 O\n0.089111 0.589111 0.500000 O\n0.247802 0.751660 -0.000001 O\n0.411676 0.911676 0.500000 O\n0.563460 0.060515 0.000000 O\n0.751661 0.247802 0.000000 O\n",
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{
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{
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"structure_string": "Y4 Mn2 Ni2 O12\n1.0\n5.224258 0.000000 0.025807\n0.000000 5.581597 0.000000\n0.038348 0.000000 7.492605\nY Mn Ni O\n4 2 2 12\ndirect\n0.980177 0.074266 0.249166 Y\n0.019824 0.925735 0.750835 Y\n0.480177 0.425734 0.749166 Y\n0.519824 0.574266 0.250835 Y\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500001 Ni\n0.605728 0.033344 0.755967 O\n0.894273 0.533344 0.744034 O\n0.198991 0.187937 0.948919 O\n0.682453 0.293656 0.055088 O\n0.817548 0.793656 0.444913 O\n0.317548 0.706345 0.944913 O\n0.182453 0.206345 0.555088 O\n0.698991 0.312064 0.448919 O\n0.801010 0.812064 0.051082 O\n0.301010 0.687937 0.551082 O\n0.105728 0.466656 0.255967 O\n0.394272 0.966657 0.244034 O\n",
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]
}