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{
"id": "jvasp-33742",
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"structure_string": "Si1 H18 C2 N8 O2 F6\n1.0\n6.443847 -0.124837 -0.038382\n-0.038487 6.571076 -0.154353\n0.909571 2.389262 7.374557\nSi H C N O F\n1 18 2 8 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.773045 0.619757 0.943263 H\n0.887602 0.230931 0.300293 H\n0.737992 0.390963 0.918115 H\n0.839182 0.832109 0.385383 H\n0.775616 0.686562 0.614555 H\n0.707273 0.137148 0.679421 H\n0.540560 0.383990 0.254158 H\n0.451116 0.078812 0.791663 H\n0.885099 0.475722 0.322880 H\n0.459440 0.616010 0.745843 H\n0.292726 0.862852 0.320580 H\n0.224384 0.313438 0.385446 H\n0.160817 0.167890 0.614618 H\n0.262008 0.609037 0.081886 H\n0.112398 0.769069 0.699708 H\n0.226955 0.380242 0.056738 H\n0.114901 0.524278 0.677121 H\n0.548884 0.921187 0.208338 H\n0.474991 0.237705 0.522920 C\n0.525009 0.762294 0.477081 C\n0.823026 0.322815 0.376379 N\n0.730077 0.756520 0.490177 N\n0.606212 0.322053 0.371482 N\n0.550002 0.153041 0.678837 N\n0.393787 0.677947 0.628520 N\n0.269923 0.243480 0.509824 N\n0.176974 0.677185 0.623622 N\n0.449998 0.846958 0.321164 N\n0.277560 0.456656 0.137617 O\n0.722439 0.543344 0.862384 O\n0.874582 0.753007 0.087102 F\n0.046355 0.000372 0.212763 F\n0.125418 0.246992 0.912899 F\n0.234895 0.885871 0.970803 F\n0.765105 0.114128 0.029198 F\n0.953645 -0.000373 0.787237 F\n",
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{
"id": "jvasp-33330",
"created_at": "2022-09-04T14:37:51.299674Z",
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"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
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{
"id": "jvasp-33530",
"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
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{
"id": "jvasp-5722",
"created_at": "2022-09-04T14:37:56.384679Z",
"updated_at": "2022-09-04T14:37:56.384698Z",
"structure_string": "Si2 H2\n1.0\n1.954034 -3.384487 -0.000000\n1.954034 3.384487 0.000000\n0.000000 0.000000 5.002141\nSi H\n2 2\ndirect\n0.333332 0.666666 0.928036 Si\n0.666666 0.333332 0.071964 Si\n0.333332 0.666666 0.627040 H\n0.666666 0.333332 0.372960 H\n",
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},
{
"id": "jvasp-39100",
"created_at": "2022-09-04T14:37:38.532462Z",
"updated_at": "2022-09-04T14:37:38.532472Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
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"volume": 130.91610602746863,
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"formula_full": "Si2 Ge2 N4 O2",
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{
"id": "jvasp-35205",
"created_at": "2022-09-04T14:38:07.925552Z",
"updated_at": "2022-09-04T14:38:07.925574Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
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"formula_full": "Si2 Ge2 N4 O2",
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{
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"structure_string": "Si2 Ge4 N8\n1.0\n4.074192 4.074192 -0.000000\n4.074192 0.000000 -4.074192\n0.000000 4.074192 -4.074192\nSi Ge N\n2 4 8\ndirect\n0.625000 0.125000 0.125000 Si\n0.375000 0.875000 0.875000 Si\n0.000000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.753316 0.740050 0.253317 N\n0.753316 0.253317 0.740050 N\n0.753316 0.253317 0.253317 N\n0.240050 0.253317 0.253317 N\n0.246683 0.259949 0.746683 N\n0.246683 0.746683 0.259949 N\n0.246683 0.746683 0.746683 N\n0.759949 0.746683 0.746683 N\n",
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{
"id": "jvasp-115006",
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"structure_string": "Si1 Ge1 N1\n1.0\n4.321738 0.000000 -0.000000\n-2.160869 3.742735 0.000000\n-0.000000 0.000000 2.502110\nSi Ge N\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666667 0.000000 N\n",
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{
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"structure_string": "Si1 Ge1 N1\n1.0\n6.270506 2.150461 0.000000\n-1.558153 2.484208 0.000000\n0.000000 0.000000 3.002029\nSi Ge N\n1 1 1\ndirect\n0.761615 0.043919 0.000000 Si\n0.212959 -0.223681 0.000000 Ge\n0.025426 0.179761 0.000000 N\n",
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{
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"structure_string": "Si1 Ge1 N1\n1.0\n3.105200 -0.000000 0.000000\n0.000000 3.105200 0.000000\n0.000000 -0.000000 7.084627\nSi Ge N\n1 1 1\ndirect\n0.000000 -0.000000 -0.081371 Si\n0.000000 0.000000 0.444098 Ge\n0.000000 0.000000 0.690873 N\n",
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{
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"structure_string": "Si1 Ge1 C1\n1.0\n3.182190 -0.222104 0.000000\n-1.876976 6.148178 0.000000\n0.000000 0.000000 2.513888\nSi Ge C\n1 1 1\ndirect\n0.970914 0.727854 0.000000 Si\n-0.164765 0.234902 0.000000 Ge\n0.193850 0.037245 0.000000 C\n",
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"volume": 48.13539114209512,
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{
"id": "jvasp-75477",
"created_at": "2022-09-04T14:35:47.348916Z",
"updated_at": "2022-09-04T14:35:47.348948Z",
"structure_string": "Si1 Ge1 As1\n1.0\n0.000000 3.185183 3.185183\n3.185183 -0.000000 3.185183\n3.185183 3.185183 0.000000\nSi Ge As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.749999 0.749999 0.749999 Ge\n0.500000 0.500000 0.500000 As\n",
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"elements": [
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"density": 4.512912552563395,
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"volume": 64.62985224903704,
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]
}