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{
"id": "jvasp-29358",
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{
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"updated_at": "2022-09-04T14:37:59.007916Z",
"structure_string": "Sn4 S4 O16\n1.0\n5.462808 0.000000 0.000000\n0.000000 7.059715 0.000000\n0.000000 0.000000 8.582165\nSn S O\n4 4 16\ndirect\n0.750000 0.697446 0.282902 Sn\n0.250000 0.302555 0.717097 Sn\n0.250000 0.197446 0.217097 Sn\n0.750000 0.802555 0.782902 Sn\n0.750000 0.325860 0.929037 S\n0.250000 0.674141 0.070962 S\n0.250000 0.825860 0.570962 S\n0.750000 0.174141 0.429038 S\n0.526770 0.204610 0.909225 O\n0.026770 0.795391 0.090774 O\n0.526770 0.295390 0.409225 O\n0.026770 0.704610 0.590774 O\n0.473230 0.795391 0.090774 O\n0.973231 0.204610 0.909225 O\n0.750000 0.030768 0.301027 O\n0.750000 0.089489 0.584729 O\n0.250000 0.530768 0.198973 O\n0.750000 0.469232 0.801027 O\n0.973231 0.295390 0.409225 O\n0.250000 0.910511 0.415270 O\n0.250000 0.589489 0.915270 O\n0.750000 0.410511 0.084730 O\n0.250000 0.969233 0.698973 O\n0.473230 0.704610 0.590774 O\n",
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{
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"updated_at": "2022-09-04T14:37:59.056161Z",
"structure_string": "U4 Si4 Rh4\n1.0\n3.884330 0.000000 0.000000\n-0.000000 7.100621 0.000000\n0.000000 0.000000 7.453750\nU Si Rh\n4 4 4\ndirect\n0.750000 0.635108 0.499265 U\n0.250000 0.364892 0.500735 U\n0.750000 0.864892 0.999265 U\n0.250000 0.135108 0.000735 U\n0.750000 0.127316 0.698725 Si\n0.250000 0.872684 0.301275 Si\n0.750000 0.372684 0.198725 Si\n0.250000 0.627316 0.801275 Si\n0.250000 0.567313 0.131275 Rh\n0.750000 0.432687 0.868725 Rh\n0.250000 0.932687 0.631275 Rh\n0.750000 0.067313 0.368725 Rh\n",
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{
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"updated_at": "2022-09-04T14:37:59.693371Z",
"structure_string": "H8 C4\n1.0\n6.938815 0.000000 0.000000\n0.000000 4.849542 -0.000000\n0.000000 -0.000000 2.556947\nH C\n8 4\ndirect\n0.200615 0.969168 0.250000 H\n0.799385 0.030832 0.750001 H\n0.299385 0.469168 0.750001 H\n0.700616 0.530832 0.250000 H\n0.019778 0.712837 0.250000 H\n0.980223 0.287162 0.750001 H\n0.480222 0.212837 0.750001 H\n0.519778 0.787162 0.250000 H\n0.042623 0.938810 0.250000 C\n0.957378 0.061190 0.750001 C\n0.457377 0.438810 0.750001 C\n0.542623 0.561190 0.250000 C\n",
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{
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"created_at": "2022-09-04T14:37:59.935321Z",
"updated_at": "2022-09-04T14:37:59.935339Z",
"structure_string": "Mn8 O4 F12\n1.0\n4.885741 -0.000000 0.000000\n0.000000 6.150604 0.000000\n0.000000 0.000000 10.425498\nMn O F\n8 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.515757 0.250000 0.240479 Mn\n0.015757 0.749999 0.259522 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.984243 0.250000 0.740479 Mn\n0.484243 0.749999 0.759522 Mn\n0.345830 0.749999 0.577975 O\n0.845830 0.250000 0.922025 O\n0.154170 0.749999 0.077975 O\n0.654170 0.250000 0.422025 O\n0.229928 0.987936 0.838144 F\n0.254061 0.250000 0.090452 F\n0.770072 0.012063 0.161856 F\n0.770072 0.487937 0.161856 F\n0.270072 0.512063 0.338144 F\n0.270072 0.987936 0.338144 F\n0.754061 0.749999 0.409548 F\n0.245939 0.250000 0.590452 F\n0.729928 0.012063 0.661856 F\n0.729928 0.487937 0.661856 F\n0.229928 0.512063 0.838144 F\n0.745939 0.749999 0.909548 F\n",
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{
"id": "jvasp-23045",
"created_at": "2022-09-04T14:38:00.162507Z",
"updated_at": "2022-09-04T14:38:00.162527Z",
"structure_string": "K16 Sn4 Se16\n1.0\n8.364557 -0.000000 0.000000\n-0.000000 10.295218 0.000000\n0.000000 0.000000 14.366376\nK Sn Se\n16 4 16\ndirect\n0.000000 0.000000 0.000000 K\n0.341030 0.549404 0.224587 K\n0.841031 0.450596 0.275413 K\n0.658970 0.049404 0.775413 K\n0.158970 0.950596 0.724588 K\n0.658970 0.450596 0.775413 K\n0.158970 0.549404 0.724588 K\n0.341030 0.950596 0.224587 K\n0.841031 0.049404 0.275413 K\n0.508190 0.750000 0.919568 K\n0.008189 0.250000 0.580432 K\n0.491811 0.250000 0.080432 K\n0.991811 0.750000 0.419568 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.261123 0.250000 0.834193 Sn\n0.738877 0.750000 0.165808 Sn\n0.238877 0.250000 0.334193 Sn\n0.761123 0.750000 0.665808 Sn\n0.117280 0.250000 0.168400 Se\n0.617280 0.750000 0.331601 Se\n0.143985 0.047337 0.418680 Se\n0.643985 0.952663 0.081320 Se\n0.856015 0.547337 0.581320 Se\n0.356015 0.452663 0.918680 Se\n0.382720 0.250000 0.668400 Se\n0.856015 0.952663 0.581320 Se\n0.143985 0.452663 0.418680 Se\n0.643985 0.547337 0.081320 Se\n0.047268 0.750000 0.173375 Se\n0.452732 0.750000 0.673375 Se\n0.547268 0.250000 0.326625 Se\n0.952732 0.250000 0.826626 Se\n0.356015 0.047337 0.918680 Se\n0.882720 0.750000 0.831601 Se\n",
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{
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"structure_string": "Li4 V4 Si4 O16\n1.0\n4.808427 0.000000 0.000000\n-0.000000 5.504527 0.000000\n0.000000 0.000000 9.382677\nLi V Si O\n4 4 4 16\ndirect\n0.943167 0.750000 0.612877 Li\n0.556834 0.750000 0.112877 Li\n0.443167 0.250000 0.887123 Li\n0.056834 0.250000 0.387123 Li\n0.980239 0.250000 0.723955 V\n0.519762 0.250000 0.223955 V\n0.480238 0.750000 0.776046 V\n0.019762 0.750000 0.276046 V\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.302035 0.503971 0.337535 O\n0.190168 0.750000 0.073985 O\n0.309832 0.750000 0.573985 O\n0.197965 0.996030 0.837535 O\n0.197965 0.503971 0.837535 O\n0.226585 0.250000 0.065974 O\n0.773416 0.750000 0.934027 O\n0.697966 0.003971 0.662465 O\n0.802035 0.003971 0.162465 O\n0.690168 0.250000 0.426015 O\n0.809833 0.250000 0.926015 O\n0.697966 0.496030 0.662465 O\n0.302035 0.996030 0.337535 O\n0.726585 0.750000 0.434027 O\n0.802035 0.496030 0.162465 O\n0.273416 0.250000 0.565974 O\n",
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{
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"structure_string": "Tm4 Mn4 Ge4\n1.0\n4.028957 0.000000 0.000000\n0.000000 6.930400 0.000000\n0.000000 0.000000 7.839688\nTm Mn Ge\n4 4 4\ndirect\n0.250000 0.526030 0.183032 Tm\n0.750001 0.473970 0.816968 Tm\n0.250000 0.026030 0.316968 Tm\n0.750001 0.973970 0.683032 Tm\n0.750001 0.367061 0.443637 Mn\n0.250000 0.132939 0.943637 Mn\n0.750001 0.867061 0.056363 Mn\n0.250000 0.632939 0.556363 Mn\n0.250000 0.271467 0.618955 Ge\n0.750001 0.228533 0.118955 Ge\n0.250000 0.771467 0.881045 Ge\n0.750001 0.728533 0.381045 Ge\n",
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{
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"updated_at": "2022-09-04T14:38:00.461364Z",
"structure_string": "Tl4 Ge4 Br12\n1.0\n4.188488 0.000000 0.000000\n0.000000 9.341661 0.000000\n0.000000 0.000000 15.580417\nTl Ge Br\n4 4 12\ndirect\n0.750000 0.081978 0.328585 Tl\n0.250000 0.918021 0.671415 Tl\n0.750000 0.581978 0.171415 Tl\n0.250000 0.418021 0.828585 Tl\n0.250000 0.162838 0.062038 Ge\n0.750000 0.837162 0.937962 Ge\n0.250000 0.662838 0.437962 Ge\n0.750000 0.337162 0.562038 Ge\n0.750000 0.701059 0.789798 Br\n0.250000 0.298941 0.210202 Br\n0.750000 0.474453 0.383347 Br\n0.250000 0.525547 0.616653 Br\n0.750000 0.974453 0.116653 Br\n0.250000 0.663521 0.004097 Br\n0.250000 0.163521 0.495903 Br\n0.750000 0.836479 0.504097 Br\n0.250000 0.798941 0.289798 Br\n0.750000 0.336479 0.995903 Br\n0.250000 0.025547 0.883347 Br\n0.750000 0.201059 0.710202 Br\n",
"nsites": 20,
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{
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{
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"created_at": "2022-09-04T14:38:00.692968Z",
"updated_at": "2022-09-04T14:38:00.692999Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.943100 0.000000 0.000000\n0.000000 7.972055 0.000000\n0.000000 0.000000 10.009760\nBa Br Cl\n4 4 4\ndirect\n0.750000 0.769794 0.105958 Ba\n0.250000 0.230207 0.894042 Ba\n0.750000 0.269794 0.394042 Ba\n0.250000 0.730207 0.605958 Ba\n0.750000 0.856712 0.419914 Br\n0.250000 0.143288 0.580086 Br\n0.750000 0.356712 0.080086 Br\n0.250000 0.643289 0.919914 Br\n0.750000 -0.016349 0.838262 Cl\n0.250000 0.016349 0.161738 Cl\n0.750000 0.483652 0.661738 Cl\n0.250000 0.516349 0.338262 Cl\n",
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]
}