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{
"id": "jvasp-11373",
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"structure_string": "K4 V2 Cu2 S8\n1.0\n5.273859 -0.000000 1.263569\n2.636930 6.389309 0.631785\n0.026230 -0.000000 11.528265\nK V Cu S\n4 2 2 8\ndirect\n0.445608 0.750000 0.108786 K\n0.195608 0.250000 0.608786 K\n0.804393 0.750000 0.391215 K\n0.554393 0.250000 0.891215 K\n0.375000 0.250000 0.250000 V\n0.625000 0.750000 0.750001 V\n0.125000 0.750000 0.750001 Cu\n0.875000 0.250000 0.250000 Cu\n0.101505 0.449385 0.138020 S\n0.898495 0.550615 0.861981 S\n0.239524 0.949385 0.861981 S\n0.550889 0.550615 0.638020 S\n0.188909 0.050615 0.361980 S\n0.449111 0.449385 0.361980 S\n0.760476 0.050615 0.138020 S\n0.811091 0.949385 0.638021 S\n",
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{
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"structure_string": "Sn2 H16 C8 F4\n1.0\n4.269866 0.073776 -0.320759\n-1.738391 4.299468 -0.088712\n0.275159 -0.072247 14.189947\nSn H C F\n2 16 8 4\ndirect\n-0.031622 0.924752 0.949054 Sn\n0.715146 0.059081 0.471616 Sn\n0.602989 0.495672 0.828721 H\n0.013817 0.631011 0.789336 H\n0.522409 0.715813 0.682122 H\n0.564295 0.255535 0.306697 H\n0.005394 0.390390 0.332985 H\n0.567050 0.730823 0.254700 H\n0.999138 0.850576 0.287467 H\n0.554908 0.010933 0.767092 H\n0.080586 0.488130 0.591950 H\n0.161130 0.267980 0.738550 H\n0.128632 0.972862 0.653578 H\n0.678028 0.593401 0.087665 H\n0.119114 0.728257 0.113984 H\n0.684218 0.133177 0.133192 H\n0.116299 0.252967 0.165968 H\n0.669768 0.352832 0.631341 H\n0.809347 0.702554 0.810453 C\n0.697410 0.881704 0.735579 C\n0.775142 0.183994 0.327623 C\n0.880806 0.050394 0.160641 C\n0.986136 0.102096 0.685091 C\n0.874214 0.281261 0.610219 C\n0.908281 0.799800 0.093042 C\n0.802561 0.933379 0.260023 C\n0.547486 0.590711 0.471319 F\n0.136059 0.393132 0.949366 F\n0.493838 0.024219 0.947786 F\n0.189675 0.959588 0.472871 F\n",
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"formula_full": "Sn2 H16 C8 F4",
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{
"id": "jvasp-12567",
"created_at": "2022-09-04T14:37:05.328431Z",
"updated_at": "2022-09-04T14:37:05.328458Z",
"structure_string": "Mg3 Si2 H4 O9\n1.0\n2.677391 -4.637377 -0.000000\n2.677391 4.637377 0.000000\n0.000000 0.000000 7.278535\nMg Si H O\n3 2 4 9\ndirect\n0.331259 -0.000000 0.459972 Mg\n-0.000000 0.331259 0.459972 Mg\n0.668741 0.668741 0.459972 Mg\n0.333333 0.666667 0.074971 Si\n0.666667 0.333333 0.074971 Si\n-0.000000 0.651566 0.727323 H\n0.651566 -0.000000 0.727323 H\n0.000000 0.000000 0.170309 H\n0.348434 0.348434 0.727323 H\n-0.000000 0.665179 0.593808 O\n0.000000 0.000000 0.303783 O\n0.333333 0.666667 0.296104 O\n0.666667 0.333333 0.296104 O\n0.513314 -0.000000 0.990782 O\n-0.000000 0.513314 0.990782 O\n0.486686 0.486686 0.990782 O\n0.665179 -0.000000 0.593808 O\n0.334821 0.334821 0.593808 O\n",
"nsites": 18,
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"formula_full": "Mg3 Si2 H4 O9",
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{
"id": "jvasp-101951",
"created_at": "2022-09-04T14:36:47.404455Z",
"updated_at": "2022-09-04T14:36:47.404464Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.972259 -0.010912 -0.170243\n-1.005609 4.181129 -0.926771\n0.104663 0.111279 8.317823\nCd H C O\n1 6 5 4\ndirect\n0.226051 0.209788 0.759594 Cd\n0.736554 0.366062 0.452042 H\n0.351526 0.360845 0.342574 H\n0.933305 0.464271 0.206350 H\n0.375050 0.573712 0.098970 H\n0.029797 0.853865 0.331759 H\n0.545858 0.984895 0.186844 H\n0.523396 0.746168 0.546607 C\n0.599166 0.518217 0.399085 C\n0.817446 0.654495 0.270311 C\n0.613520 0.757865 0.138545 C\n0.815900 0.782600 0.988013 C\n0.269183 0.651519 0.629661 O\n0.704616 0.032924 0.588854 O\n0.039104 0.041149 0.988964 O\n0.762239 0.537974 0.868653 O\n",
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"formula_full": "Cd1 H6 C5 O4",
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{
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"created_at": "2022-09-04T14:36:53.490297Z",
"updated_at": "2022-09-04T14:36:53.490315Z",
"structure_string": "Sb2 H8 N2 Cl12\n1.0\n0.000000 6.239849 -0.000000\n-6.014454 3.119925 -0.119419\n-2.197555 -0.000000 11.723951\nSb H N Cl\n2 8 2 12\ndirect\n0.000000 0.500000 0.500000 Sb\n0.500001 0.500000 -0.000000 Sb\n0.029156 0.947261 0.820019 H\n0.877260 0.867166 0.733777 H\n0.023583 0.947260 0.320020 H\n0.255575 0.867166 0.233777 H\n0.744426 0.132834 0.766223 H\n0.976418 0.052740 0.679980 H\n0.122741 0.132834 0.266223 H\n-0.029156 0.052740 0.179979 H\n0.093709 0.000000 0.250000 N\n0.906291 0.000001 0.750000 N\n0.313194 0.155314 0.610113 Cl\n0.468508 0.844687 0.889887 Cl\n0.686807 0.844687 0.389887 Cl\n0.216143 0.705842 0.533468 Cl\n0.791025 0.593931 0.671405 Cl\n0.384955 0.406070 0.828595 Cl\n0.078016 0.705841 0.033468 Cl\n0.921984 0.294159 0.966532 Cl\n0.615045 0.593930 0.171405 Cl\n0.208975 0.406070 0.328595 Cl\n0.783858 0.294158 0.466532 Cl\n0.531493 0.155313 0.110113 Cl\n",
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],
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{
"id": "jvasp-50291",
"created_at": "2022-09-04T14:37:05.322863Z",
"updated_at": "2022-09-04T14:37:05.322879Z",
"structure_string": "Li5 Cu1 P2 O8\n1.0\n0.000000 4.937040 -0.005701\n6.175420 0.000000 0.000000\n0.000000 -0.026160 -5.231921\nLi Cu P O\n5 1 2 8\ndirect\n0.490869 0.000000 0.161853 Li\n0.994449 0.750116 0.326009 Li\n0.492099 0.746883 0.674630 Li\n0.492099 0.253116 0.674630 Li\n0.994449 0.249883 0.326009 Li\n0.995222 0.500000 0.807151 Cu\n-0.001761 0.000000 0.827726 P\n0.499312 0.500000 0.182993 P\n0.895481 0.000000 0.107712 O\n0.312521 0.000000 0.821270 O\n0.886357 0.798547 0.681121 O\n0.388899 0.708219 0.315376 O\n0.812997 0.500000 0.201664 O\n0.414343 0.500000 0.895357 O\n0.388899 0.291781 0.315376 O\n0.886357 0.201453 0.681121 O\n",
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{
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"created_at": "2022-09-04T14:36:54.850228Z",
"updated_at": "2022-09-04T14:36:54.850247Z",
"structure_string": "K2 Al1 Au1 I6\n1.0\n7.045205 -0.000000 4.067551\n2.348402 6.642283 4.067551\n-0.000000 -0.000000 8.135102\nK Al Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.756350 0.243649 0.243650 I\n0.243649 0.243649 0.756350 I\n0.243649 0.756350 0.756350 I\n0.243649 0.756350 0.243650 I\n0.756350 0.243649 0.756350 I\n0.756350 0.756350 0.243650 I\n",
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{
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"structure_string": "Nd2 Mn2 As2 O2\n1.0\n3.960664 -0.000000 0.000000\n0.000000 3.960664 0.000000\n-0.000000 -0.000000 8.728403\nNd Mn As O\n2 2 2 2\ndirect\n0.750000 0.750000 0.859784 Nd\n0.249999 0.249999 0.140215 Nd\n0.249999 0.750000 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.750000 0.750000 0.341793 As\n0.249999 0.249999 0.658207 As\n0.249999 0.750000 -0.000000 O\n0.750000 0.249999 -0.000000 O\n",
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{
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"structure_string": "Rb2 Li1 Pr1 Cl6\n1.0\n6.428870 -0.000000 3.711710\n2.142957 6.061197 3.711710\n0.000000 -0.000000 7.423420\nRb Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.739911 0.260089 0.260089 Cl\n0.260089 0.260089 0.739911 Cl\n0.260089 0.739912 0.739911 Cl\n0.260089 0.739912 0.260088 Cl\n0.739911 0.260089 0.739911 Cl\n0.739911 0.739912 0.260089 Cl\n",
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"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.964368 -0.000000 -0.000001\n-2.482183 3.314886 2.482184\n0.000001 -0.000000 4.964368\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698017 0.762981 0.435603 O\n0.801417 0.237020 0.698016 O\n0.435604 0.237020 0.064964 O\n0.064965 0.762981 0.801416 O\n",
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{
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"created_at": "2022-09-04T14:36:54.869362Z",
"updated_at": "2022-09-04T14:36:54.869381Z",
"structure_string": "Sn1 H4 C3 O6\n1.0\n4.567388 -0.014961 -0.093348\n-0.650702 4.875326 -1.474005\n0.058160 -0.124099 6.705163\nSn H C O\n1 4 3 6\ndirect\n0.127067 0.133586 0.857375 Sn\n0.519581 0.656647 0.288288 H\n0.453769 0.450052 0.460371 H\n0.338418 0.604885 0.877794 H\n0.147400 0.956755 0.152849 H\n0.816188 0.347166 0.258329 C\n0.806484 0.773797 0.556942 C\n0.624432 0.553251 0.386045 C\n0.365511 0.421931 0.775967 O\n0.280678 0.927024 0.033740 O\n0.899084 0.398008 0.084859 O\n0.885320 0.157292 0.319390 O\n0.689192 0.937713 0.711450 O\n0.089294 0.804145 0.557518 O\n",
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"formula_full": "Sn1 H4 C3 O6",
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{
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"structure_string": "Tl2 Sn1 Hg1 Te4\n1.0\n6.810951 0.001602 -1.883695\n-3.943724 5.553025 -1.883695\n-0.000828 -0.001602 7.066637\nTl Sn Hg Te\n2 1 1 4\ndirect\n0.000000 0.500001 0.500001 Tl\n0.500000 0.000000 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000001 Hg\n0.423219 0.423219 0.367828 Te\n0.576782 0.944610 0.000001 Te\n0.944609 0.576782 0.000001 Te\n0.055391 0.055391 0.632174 Te\n",
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]
}