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{
"id": "jvasp-25415",
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{
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{
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{
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{
"id": "jvasp-25369",
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"structure_string": "Si46\n1.0\n10.274140 0.000000 0.000000\n-0.000000 10.274140 0.000000\n-0.000000 0.000000 10.274140\nSi\n46\ndirect\n0.000000 0.882935 0.308121 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816346 0.816346 0.816346 Si\n0.183654 0.183654 0.183654 Si\n0.183654 0.183654 0.816346 Si\n0.183654 0.816346 0.183654 Si\n0.316346 0.316346 0.683654 Si\n0.816346 0.816346 0.183654 Si\n0.816346 0.183654 0.816346 Si\n0.683654 0.683654 0.316346 Si\n0.816346 0.183654 0.183654 Si\n0.683654 0.683654 0.683654 Si\n0.183654 0.816346 0.816346 Si\n0.316346 0.316346 0.316346 Si\n0.316346 0.683654 0.316346 Si\n0.683654 0.316346 0.683654 Si\n0.250000 0.500000 0.000000 Si\n0.808121 0.382935 0.500000 Si\n0.191879 0.617065 0.500000 Si\n0.808121 0.617065 0.500000 Si\n0.000000 0.117065 0.691879 Si\n0.000000 0.117065 0.308121 Si\n0.000000 0.882935 0.691879 Si\n0.308121 0.000000 0.882935 Si\n0.382935 0.500000 0.191879 Si\n0.691879 0.000000 0.117065 Si\n0.617065 0.500000 0.808121 Si\n0.308121 0.000000 0.117065 Si\n0.617065 0.500000 0.191879 Si\n0.683654 0.316346 0.316346 Si\n0.691879 0.000000 0.882935 Si\n0.882935 0.308121 0.000000 Si\n0.500000 0.808121 0.617065 Si\n0.117065 0.691879 0.000000 Si\n0.500000 0.191879 0.382935 Si\n0.882935 0.691879 0.000000 Si\n0.500000 0.191879 0.617065 Si\n0.117065 0.308121 0.000000 Si\n0.500000 0.808121 0.382935 Si\n0.191879 0.382935 0.500000 Si\n0.382935 0.500000 0.808121 Si\n0.316346 0.683654 0.683654 Si\n",
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{
"id": "jvasp-59717",
"created_at": "2022-09-04T14:37:29.957137Z",
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"structure_string": "Si4 As8\n1.0\n6.141131 -0.000000 0.000000\n-0.000000 6.141131 -0.000000\n-0.000000 0.000000 6.141131\nSi As\n4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.384742 0.384742 0.384742 As\n0.115258 0.615258 0.884742 As\n0.884742 0.115258 0.615258 As\n0.615258 0.884742 0.115258 As\n0.615258 0.615258 0.615258 As\n0.884742 0.384742 0.115258 As\n0.115258 0.884742 0.384742 As\n0.384742 0.115258 0.884742 As\n",
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{
"id": "jvasp-97661",
"created_at": "2022-09-04T14:35:52.578760Z",
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"structure_string": "Si4 B4 H4 C12 N4 Cl8\n1.0\n8.070152 0.000000 0.487734\n0.000000 10.477005 0.000000\n1.570408 0.000000 6.140222\nSi B H C N Cl\n4 4 4 12 4 8\ndirect\n0.275278 0.838133 0.512039 Si\n0.724722 0.338133 0.987960 Si\n0.724722 0.161867 0.487960 Si\n0.275278 0.661867 0.012039 Si\n0.898857 0.936017 0.598825 B\n0.101144 0.436017 0.901174 B\n0.101143 0.063984 0.401174 B\n0.898857 0.563984 0.098825 B\n0.105691 0.503077 0.225302 H\n0.894309 0.003076 0.274698 H\n0.105691 -0.003076 0.725301 H\n0.894309 0.496924 0.774697 H\n0.440032 0.637147 0.224083 C\n0.313240 0.726150 0.271912 C\n0.686760 0.226149 0.228087 C\n0.686760 0.273851 0.728087 C\n0.313240 -0.226149 0.771912 C\n0.559968 0.137146 0.275917 C\n0.559968 0.362854 0.775916 C\n0.440032 -0.137146 0.724082 C\n0.457909 0.554517 0.037802 C\n0.542091 0.054517 0.462197 C\n0.542091 0.445483 0.962197 C\n0.457910 -0.054517 0.537802 C\n0.902711 0.045345 0.418039 N\n0.097289 0.545345 0.081961 N\n0.097289 -0.045345 0.581960 N\n0.902711 0.454656 0.918038 N\n0.148256 0.219630 0.488932 Cl\n0.756076 0.988058 0.871540 Cl\n0.243924 0.488057 0.628459 Cl\n0.243924 0.011943 0.128459 Cl\n0.756076 0.511943 0.371540 Cl\n-0.148256 0.780370 0.511068 Cl\n0.148256 0.280370 0.988932 Cl\n-0.148256 0.719630 0.011068 Cl\n",
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{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
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"volume": 657.9324982335585,
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"formula_full": "Si4 Br16",
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{
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"structure_string": "Si4 C2 N8\n1.0\n4.599168 0.000000 -1.629013\n0.000000 5.490048 0.000000\n0.046795 0.000000 7.439004\nSi C N\n4 2 8\ndirect\n0.232220 0.595833 0.596298 Si\n0.635920 0.404167 0.403702 Si\n0.732220 0.904167 0.596299 Si\n0.135920 0.095833 0.403702 Si\n0.485637 0.500000 0.000000 C\n0.985637 0.000000 0.000000 C\n0.405777 0.524317 0.828828 N\n0.576949 0.475683 0.171173 N\n0.360549 0.874665 0.545597 N\n0.814952 0.125335 0.454403 N\n0.860550 0.625336 0.545597 N\n0.314952 0.374665 0.454403 N\n0.076949 0.024317 0.171172 N\n0.905777 0.975683 0.828828 N\n",
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{
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"structure_string": "Si4 C4\n1.0\n1.549893 -2.684493 0.000000\n1.549893 2.684493 0.000000\n0.000000 0.000000 10.151392\nSi C\n4 4\ndirect\n0.666666 0.333332 0.937847 Si\n0.333332 0.666666 0.437847 Si\n0.000000 0.000000 0.687848 Si\n0.000000 0.000000 0.187848 Si\n0.666666 0.333332 0.749826 C\n0.333332 0.666666 0.249826 C\n0.000000 0.000000 0.500478 C\n0.000000 0.000000 0.000478 C\n",
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{
"id": "jvasp-99327",
"created_at": "2022-09-04T14:36:35.006687Z",
"updated_at": "2022-09-04T14:36:35.006717Z",
"structure_string": "Si4 Cl8 O4\n1.0\n5.832820 0.001810 0.892507\n2.136133 7.574181 1.717647\n-0.023938 -0.020163 8.077636\nSi Cl O\n4 8 4\ndirect\n0.115505 0.687909 0.115006 Si\n0.884494 0.312091 0.884996 Si\n0.978296 0.677782 0.744084 Si\n0.021703 0.322219 0.255917 Si\n0.729559 0.331450 0.426007 Cl\n0.270441 0.668550 0.573994 Cl\n0.707436 0.889520 0.665109 Cl\n0.292564 0.110480 0.334892 Cl\n0.120955 0.110751 0.783645 Cl\n0.879044 0.889249 0.216356 Cl\n0.549848 0.283184 0.903285 Cl\n0.450151 0.716817 0.096716 Cl\n0.954785 0.309263 0.072090 O\n0.045214 0.690738 0.927912 O\n0.894603 0.498402 0.761915 O\n0.105396 0.501599 0.238086 O\n",
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],
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"formula_full": "Si4 Cl8 O4",
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{
"id": "jvasp-32274",
"created_at": "2022-09-04T14:38:08.041622Z",
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"structure_string": "Si4 H12 F4\n1.0\n4.554155 0.000000 -0.504509\n0.000000 7.407990 0.000000\n0.014472 0.000000 7.527954\nSi H F\n4 12 4\ndirect\n0.697758 0.732197 0.590814 Si\n0.802243 0.232197 0.909186 Si\n0.302243 0.267803 0.409186 Si\n0.197757 0.767803 0.090814 Si\n0.010797 0.221850 0.771548 H\n0.489203 0.721850 0.728452 H\n0.451878 0.892318 0.122250 H\n0.048122 0.392318 0.377750 H\n0.548122 0.107682 0.877750 H\n0.951879 0.607682 0.622249 H\n0.286443 0.578924 0.054907 H\n0.713557 0.421076 0.945093 H\n0.510798 0.278150 0.271548 H\n0.786443 0.921076 0.554907 H\n0.213557 0.078924 0.445093 H\n-0.010798 0.778150 0.228452 H\n0.009960 0.835800 0.902421 F\n0.490040 0.335800 0.597578 F\n0.990041 0.164200 0.097578 F\n0.509961 0.664200 0.402422 F\n",
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}
]
}