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{
"id": "jvasp-104135",
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"structure_string": "H12 C17 S1\n1.0\n3.749427 -0.195753 0.536067\n0.734272 5.325045 1.317650\n1.164302 0.111216 13.994081\nH C S\n12 17 1\ndirect\n0.528209 0.778750 0.957235 H\n-0.159221 0.082800 0.037168 H\n0.414506 0.221460 0.020068 H\n0.758865 0.030954 0.790114 H\n0.324020 0.700075 0.115581 H\n0.577940 0.577311 0.582394 H\n0.109555 0.455183 0.476869 H\n0.730464 0.796552 0.408034 H\n0.442358 0.397144 0.718620 H\n0.206672 0.633314 0.309458 H\n0.956995 0.235423 0.652657 H\n0.203267 0.145905 0.884684 H\n0.426909 0.143415 0.426678 C\n0.214055 0.262025 0.499471 C\n0.865562 0.837777 0.809887 C\n0.424376 0.532739 0.164437 C\n0.126232 0.135298 0.599894 C\n0.734884 0.694159 0.906040 C\n0.355848 0.494914 0.270571 C\n0.120514 0.737720 0.738243 C\n0.242046 0.485786 0.769517 C\n0.484477 0.262921 0.319700 C\n0.244089 0.883177 0.633906 C\n0.849722 0.441403 0.935076 C\n0.560974 0.895936 0.461326 C\n0.679006 0.262744 0.031049 C\n0.473044 0.770438 0.561537 C\n0.108843 0.342446 0.864821 C\n0.609430 0.330875 0.131032 C\n0.701605 0.096028 0.231571 S\n",
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{
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"updated_at": "2022-09-04T14:37:02.255794Z",
"structure_string": "Tl2 Ag2 I4\n1.0\n6.740003 0.042570 -2.118029\n-3.620171 5.685403 -2.118029\n-0.023187 -0.042570 7.064924\nTl Ag I\n2 2 4\ndirect\n0.250000 0.250000 -0.000000 Tl\n0.749999 0.750000 -0.000001 Tl\n0.250000 0.750000 0.499999 Ag\n0.749999 0.250000 0.499999 Ag\n0.681219 0.181220 0.862439 I\n0.181220 0.318780 0.499999 I\n0.818779 0.681220 0.499999 I\n0.318780 0.818779 0.137559 I\n",
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{
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"created_at": "2022-09-04T14:37:02.250295Z",
"updated_at": "2022-09-04T14:37:02.250319Z",
"structure_string": "Rb6 In2 O6\n1.0\n3.846407 5.923820 0.093028\n-3.846407 5.923820 -0.093028\n-1.484320 0.000000 6.804663\nRb In O\n6 2 6\ndirect\n0.367695 0.632305 0.647548 Rb\n0.808533 0.808533 0.500000 Rb\n0.191467 0.191467 0.500000 Rb\n0.259241 0.259241 0.000000 Rb\n0.740759 0.740759 -0.000000 Rb\n0.632305 0.367695 0.352451 Rb\n0.180448 0.819552 0.146365 In\n0.819551 0.180448 0.853634 In\n0.095391 0.904609 0.833702 O\n0.161070 0.552301 0.271161 O\n0.447699 0.838930 0.271161 O\n0.838930 0.447699 0.728839 O\n0.552301 0.161070 0.728839 O\n0.904609 0.095391 0.166298 O\n",
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{
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"created_at": "2022-09-04T14:37:02.252910Z",
"updated_at": "2022-09-04T14:37:02.252949Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.600219 -0.004285 -0.014436\n0.005901 5.613400 -0.004708\n0.020368 0.004717 5.611556\nRb C O\n4 1 4\ndirect\n0.215759 0.284035 0.283998 Rb\n0.784311 0.284229 0.716288 Rb\n0.215474 0.716423 0.715957 Rb\n0.784485 0.716373 0.284060 Rb\n0.499994 -0.000243 -0.000069 C\n0.649409 0.850848 0.850829 O\n0.350636 0.850840 0.149006 O\n0.649198 0.148703 0.148886 O\n0.350737 0.148788 0.851043 O\n",
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{
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"created_at": "2022-09-04T14:37:02.256807Z",
"updated_at": "2022-09-04T14:37:02.256833Z",
"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
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"formula_full": "Ti2 Se4 O12",
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{
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"created_at": "2022-09-04T14:37:02.261354Z",
"updated_at": "2022-09-04T14:37:02.261371Z",
"structure_string": "Sr1 Mg3 O4\n1.0\n3.280579 -0.000000 0.000000\n0.000000 3.280579 0.000000\n-0.000000 -0.000000 8.914675\nSr Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.727455 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.272544 Mg\n0.000000 0.000000 0.275543 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.724456 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-13093",
"created_at": "2022-09-04T14:37:02.287180Z",
"updated_at": "2022-09-04T14:37:02.287198Z",
"structure_string": "Mg5 H2 O6\n1.0\n1.514278 -2.622806 0.000000\n1.514278 2.622806 -0.000000\n-0.000000 -0.000000 14.712891\nMg H O\n5 2 6\ndirect\n0.666668 0.333334 0.668569 Mg\n0.333334 0.666668 0.331431 Mg\n0.333334 0.666668 0.834604 Mg\n0.666668 0.333334 0.165396 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666668 0.529750 H\n0.666668 0.333334 0.470250 H\n0.333334 0.666668 0.082705 O\n0.666668 0.333334 0.917295 O\n0.000000 0.000000 0.248229 O\n0.666668 0.333334 0.404289 O\n0.333334 0.666668 0.595711 O\n0.000000 0.000000 0.751771 O\n",
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{
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"created_at": "2022-09-04T14:37:02.298531Z",
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"structure_string": "Na12 As4 Se12\n1.0\n8.876808 0.000000 -0.000000\n-0.000000 8.876808 -0.000000\n0.000000 0.000000 8.876808\nNa As Se\n12 4 12\ndirect\n0.823173 0.176828 0.676828 Na\n0.676828 0.823173 0.176828 Na\n0.176828 0.676828 0.823173 Na\n0.323173 0.323173 0.323173 Na\n0.186280 0.313720 0.686280 Na\n0.313720 0.686280 0.186280 Na\n0.686280 0.186280 0.313720 Na\n0.813721 0.813721 0.813721 Na\n0.417143 0.082858 0.917143 Na\n0.082858 0.917143 0.417143 Na\n0.917143 0.417143 0.082858 Na\n0.582858 0.582858 0.582858 Na\n0.530537 0.469463 0.969463 As\n0.969463 0.530537 0.469463 As\n0.469463 0.969463 0.530537 As\n0.030537 0.030537 0.030537 As\n0.269401 0.387273 0.000930 Se\n0.769401 0.112727 -0.000930 Se\n0.730599 0.887274 0.499071 Se\n0.112727 -0.000930 0.769401 Se\n0.499071 0.730599 0.887274 Se\n-0.000930 0.769401 0.112727 Se\n0.387273 0.000930 0.269401 Se\n0.000930 0.269401 0.387273 Se\n0.887274 0.499071 0.730599 Se\n0.612727 0.500930 0.230599 Se\n0.500930 0.230599 0.612727 Se\n0.230599 0.612727 0.500930 Se\n",
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"structure_string": "Zr6 Ni1 Sn2\n1.0\n7.888650 -0.000000 0.000000\n-3.944325 6.831771 0.000000\n-0.000000 -0.000000 3.584366\nZr Ni Sn\n6 1 2\ndirect\n0.243687 0.000000 0.500001 Zr\n0.000000 0.243687 0.500001 Zr\n0.756314 0.756313 0.500001 Zr\n0.601766 0.000000 -0.000000 Zr\n0.000000 0.601766 -0.000000 Zr\n0.398234 0.398234 -0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.333334 0.666667 0.500001 Sn\n0.666667 0.333333 0.500001 Sn\n",
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]
}