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{
"id": "jvasp-58844",
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"structure_string": "Hg8 As4 Cl8\n1.0\n8.191866 -0.002150 0.920134\n3.903114 7.202247 0.920134\n-0.008533 -0.005080 8.970806\nHg As Cl\n8 4 8\ndirect\n0.219371 0.219371 0.518477 Hg\n0.723869 0.723869 0.956779 Hg\n0.276132 0.276132 0.043220 Hg\n0.229216 0.734781 0.756283 Hg\n0.265219 0.770784 0.243717 Hg\n0.770784 0.265219 0.243717 Hg\n0.734781 0.229216 0.756283 Hg\n0.780629 0.780629 0.481523 Hg\n0.556295 0.556296 0.091900 As\n0.443705 0.443705 0.908100 As\n0.957332 0.957333 0.389381 As\n0.042668 0.042668 0.610618 As\n0.607788 0.607789 0.521317 Cl\n0.392212 0.392212 0.478682 Cl\n0.109495 0.109494 0.984499 Cl\n0.890505 0.890506 0.015500 Cl\n0.994364 0.543333 0.739015 Cl\n0.456667 0.005636 0.260984 Cl\n0.005636 0.456667 0.260984 Cl\n0.543333 0.994364 0.739016 Cl\n",
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{
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"structure_string": "Hf8 N8 O4\n1.0\n5.402064 -0.002886 0.001207\n0.006363 6.449631 0.000894\n0.038930 1.602346 6.797330\nHf N O\n8 8 4\ndirect\n0.712248 0.870702 0.151123 Hf\n0.702073 0.371072 0.152654 Hf\n0.197625 0.322644 0.346692 Hf\n0.214523 0.821795 0.343084 Hf\n0.770054 0.504921 0.609978 Hf\n0.765804 0.008078 0.606012 Hf\n0.309979 0.692758 0.867774 Hf\n0.275316 0.184919 0.894895 Hf\n0.546023 0.431768 0.866851 N\n0.548624 0.952781 0.865011 N\n0.042719 0.247890 0.637756 N\n0.522490 0.773995 0.528230 N\n0.422717 0.108466 0.193755 N\n0.925902 0.582916 0.312261 N\n0.428895 0.616309 0.179746 N\n0.924712 0.079900 0.308005 N\n0.057904 0.901464 -0.001421 O\n0.553215 0.288438 0.490397 O\n0.025060 0.748551 0.644765 O\n0.054105 0.414399 0.002430 O\n",
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{
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"created_at": "2022-09-04T14:37:40.491431Z",
"updated_at": "2022-09-04T14:37:40.491460Z",
"structure_string": "Pu8 C12\n1.0\n6.440115 0.000000 -2.276925\n-3.220058 5.577304 -2.276925\n-0.000000 -0.000000 6.830774\nPu C\n8 12\ndirect\n0.098604 0.098604 0.098604 Pu\n-0.000001 0.901395 0.500000 Pu\n0.500000 0.000000 0.901395 Pu\n-0.000000 0.401395 0.500000 Pu\n0.500000 0.000000 0.401396 Pu\n0.401396 0.500000 0.000000 Pu\n0.598604 0.598604 0.598605 Pu\n0.901396 0.500000 0.000001 Pu\n0.786022 0.036021 0.750000 C\n0.036021 0.749999 0.786021 C\n0.750000 0.786021 0.036022 C\n0.713979 0.463978 0.250001 C\n0.250000 0.713978 0.463979 C\n0.963979 0.213978 0.750000 C\n0.213978 0.749999 0.963978 C\n0.536022 0.286021 0.250000 C\n0.286022 0.250000 0.536022 C\n0.750000 0.963978 0.213979 C\n0.250000 0.536021 0.286022 C\n0.463979 0.250000 0.713979 C\n",
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{
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"created_at": "2022-09-04T14:38:00.618040Z",
"updated_at": "2022-09-04T14:38:00.618058Z",
"structure_string": "V4 F16\n1.0\n7.243251 0.000000 -0.071491\n0.000000 4.839554 0.000000\n-1.606118 0.000000 7.130329\nV F\n4 16\ndirect\n0.205285 0.255832 0.814180 V\n0.205285 0.244168 0.314180 V\n0.794714 0.755832 0.685820 V\n0.794714 0.744167 0.185820 V\n0.812121 0.621995 0.441467 F\n0.695689 0.435552 0.083632 F\n0.812120 0.878004 0.941467 F\n0.695688 0.064448 0.583632 F\n0.589677 0.929964 0.188238 F\n0.589677 0.570035 0.688238 F\n0.410323 0.429964 0.311763 F\n0.304311 0.935551 0.416368 F\n0.955782 0.443758 0.788531 F\n0.187879 0.121996 0.058533 F\n0.304311 0.564447 0.916368 F\n0.187879 0.378004 0.558533 F\n0.044217 0.556242 0.211470 F\n0.044217 0.943757 0.711470 F\n0.410323 0.070035 0.811763 F\n0.955782 0.056242 0.288531 F\n",
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{
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"created_at": "2022-09-04T14:37:59.647953Z",
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"structure_string": "H8 I2 N2 O8\n1.0\n5.567920 0.000001 -2.395590\n-1.030699 5.471690 -2.395589\n-0.072977 -0.088008 7.498763\nH I N O\n8 2 2 8\ndirect\n0.641686 0.059299 0.348983 H\n0.289684 0.141686 0.848983 H\n0.559299 0.207297 0.848983 H\n0.707297 0.789684 0.348983 H\n0.358313 0.940700 0.651016 H\n0.710315 0.858314 0.151016 H\n0.440700 0.792702 0.151016 H\n0.292702 0.210315 0.651016 H\n0.874999 0.625000 0.749999 I\n0.125000 0.375000 0.250000 I\n0.375000 0.125000 0.749999 N\n0.625000 0.875000 0.250000 N\n0.658277 0.337453 0.586899 O\n0.341722 0.662547 0.413100 O\n0.071378 0.250554 0.413100 O\n0.750554 0.841722 0.913100 O\n0.837453 0.428622 0.086899 O\n0.249445 0.158278 0.086899 O\n0.928621 0.749445 0.586899 O\n0.162546 0.571378 0.913100 O\n",
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{
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"created_at": "2022-09-04T14:37:42.388301Z",
"updated_at": "2022-09-04T14:37:42.388321Z",
"structure_string": "Tm2 Sb2 Pb4 O12\n1.0\n5.095761 2.930645 0.001881\n-5.095754 2.930634 -0.001894\n-3.263892 -0.000030 9.640185\nTm Sb Pb O\n2 2 4 12\ndirect\n0.249236 0.249232 0.250002 Tm\n0.750763 0.750765 0.749999 Tm\n0.500001 -0.000001 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.906016 0.643068 0.127124 Pb\n0.643069 0.906014 0.372877 Pb\n0.093983 0.356929 0.872878 Pb\n0.356930 0.093983 0.627124 Pb\n0.113996 0.309887 0.414576 O\n0.309888 0.113999 0.085425 O\n0.120511 0.821918 0.350770 O\n0.821924 0.120518 0.149231 O\n0.879488 0.178079 0.649232 O\n0.665319 0.358985 0.878531 O\n0.334681 0.641013 0.121470 O\n0.641020 0.334678 0.378536 O\n0.690111 0.885998 0.914576 O\n0.358980 0.665320 0.621465 O\n0.178075 0.879479 0.850770 O\n0.886004 0.690110 0.585425 O\n",
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{
"id": "jvasp-57075",
"created_at": "2022-09-04T14:37:41.860507Z",
"updated_at": "2022-09-04T14:37:41.860528Z",
"structure_string": "Cd2 Hg4 S2 O12\n1.0\n6.863074 0.022566 0.051200\n3.292233 6.529179 -0.033359\n3.017050 0.928499 6.737465\nCd Hg S O\n2 4 2 12\ndirect\n0.671192 0.871237 0.775086 Cd\n0.328807 0.128764 0.224913 Cd\n0.162903 0.361718 0.779781 Hg\n0.334576 0.635228 0.220405 Hg\n0.665422 0.364774 0.779594 Hg\n0.837096 0.638283 0.220218 Hg\n0.207964 0.864834 0.699038 S\n0.792035 0.135167 0.300961 S\n0.682946 0.308442 0.418544 O\n0.142642 0.467192 0.273320 O\n0.199848 0.064395 0.566719 O\n0.857357 0.532809 0.726679 O\n0.800151 0.935606 0.433280 O\n0.967841 0.886023 0.830869 O\n0.341391 0.825891 0.830820 O\n0.545562 0.798483 0.136531 O\n0.317053 0.691559 0.581456 O\n0.032158 0.113978 0.169130 O\n0.454437 0.201518 0.863468 O\n0.658608 0.174110 0.169179 O\n",
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{
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"created_at": "2022-09-04T14:37:40.573746Z",
"updated_at": "2022-09-04T14:37:40.573756Z",
"structure_string": "K2 Cu8 As2 S8\n1.0\n0.000000 6.541521 -0.029325\n6.432837 0.000000 0.000000\n0.000000 -2.137219 -9.376326\nK Cu As S\n2 8 2 8\ndirect\n0.675795 0.028965 0.137966 K\n0.324205 0.528966 0.862035 K\n0.922561 0.909209 0.877228 Cu\n0.367931 0.032150 0.614071 Cu\n0.632069 0.532150 0.385930 Cu\n0.077439 0.409209 0.122773 Cu\n0.020850 0.665602 0.487467 Cu\n0.293947 0.381527 0.455690 Cu\n0.979150 0.165602 0.512534 Cu\n0.706053 0.881528 0.544310 Cu\n0.802755 0.384297 0.749861 As\n0.197245 0.884297 0.250140 As\n0.390233 0.620359 0.187246 S\n0.939574 0.399593 0.339840 S\n0.836595 0.587706 0.951328 S\n0.060426 0.899594 0.660161 S\n0.609767 0.120359 0.812755 S\n0.163405 0.087706 0.048673 S\n0.537876 0.582692 0.602689 S\n0.462124 0.082692 0.397312 S\n",
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{
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"structure_string": "Ce4 B16\n1.0\n7.175412 0.000000 0.000000\n0.000000 7.175412 -0.000000\n0.000000 0.000000 4.074360\nCe B\n4 16\ndirect\n0.186263 0.686263 0.000000 Ce\n0.686263 0.813737 0.000000 Ce\n0.313737 0.186263 0.000000 Ce\n0.813737 0.313737 0.000000 Ce\n0.176009 0.961400 0.500000 B\n0.038600 0.176009 0.500000 B\n0.411713 0.911713 0.500000 B\n0.911713 0.588286 0.500000 B\n0.088286 0.411713 0.500000 B\n0.588286 0.088286 0.500000 B\n0.500000 0.500000 0.201772 B\n0.500000 0.500000 0.798229 B\n0.823990 0.038600 0.500000 B\n0.000000 0.000000 0.201772 B\n0.461400 0.676009 0.500000 B\n0.538600 0.323991 0.500000 B\n0.676009 0.538600 0.500000 B\n0.323991 0.461400 0.500000 B\n0.000000 0.000000 0.798229 B\n0.961400 0.823990 0.500000 B\n",
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{
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"created_at": "2022-09-04T14:37:42.031348Z",
"updated_at": "2022-09-04T14:37:42.031370Z",
"structure_string": "K1 Zn4 Sb3 O12\n1.0\n5.504045 3.177761 2.463512\n-5.504044 3.177762 2.463512\n-0.000000 -6.355523 2.463512\nK Zn Sb O\n1 4 3 12\ndirect\n0.508880 0.508879 0.508879 K\n0.025414 0.637357 0.508034 Zn\n0.508034 0.025414 0.637357 Zn\n0.637359 0.508034 0.025413 Zn\n0.987495 0.987494 0.987495 Zn\n0.067152 0.193134 0.652722 Sb\n0.193134 0.652721 0.067153 Sb\n0.652722 0.067152 0.193135 Sb\n0.734469 0.161845 0.534511 O\n0.116992 0.319450 0.986397 O\n0.319451 0.986396 0.116992 O\n0.986396 0.116991 0.319451 O\n0.391101 0.252648 0.729213 O\n0.654815 0.962685 0.891798 O\n0.729214 0.391100 0.252647 O\n0.252647 0.729212 0.391102 O\n0.534512 0.734468 0.161845 O\n0.891798 0.654814 0.962686 O\n0.962686 0.891798 0.654814 O\n0.161845 0.534512 0.734469 O\n",
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{
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"created_at": "2022-09-04T14:37:43.132651Z",
"updated_at": "2022-09-04T14:37:43.132682Z",
"structure_string": "Ba2 Tb2 Mn4 O12\n1.0\n5.513420 0.012567 0.000000\n0.088489 5.512722 0.000000\n0.000000 0.000000 7.696393\nTb Ba Mn O\n2 2 4 12\ndirect\n0.237458 0.237458 0.500000 Tb\n0.762543 0.762543 0.500000 Tb\n0.247114 0.247114 0.000000 Ba\n0.752886 0.752886 0.000000 Ba\n0.749578 0.250423 0.258415 Mn\n0.250422 0.749578 0.258415 Mn\n0.250422 0.749578 0.741584 Mn\n0.749578 0.250423 0.741584 Mn\n0.730343 0.269658 0.000000 O\n0.500000 0.000000 0.715372 O\n0.000000 0.000000 0.760352 O\n0.500000 0.500000 0.689510 O\n0.000000 0.500000 0.284628 O\n0.269657 0.730343 0.000000 O\n0.500000 0.500000 0.310490 O\n0.193948 0.806052 0.500000 O\n0.000000 0.000000 0.239648 O\n0.500000 0.000000 0.284628 O\n0.806052 0.193948 0.500000 O\n0.000000 0.500000 0.715372 O\n",
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{
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"created_at": "2022-09-04T14:38:00.979688Z",
"updated_at": "2022-09-04T14:38:00.979732Z",
"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
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]
}