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"structure_string": "H14 C14 N2 O2\n1.0\n5.557077 -0.108467 2.119754\n2.327089 6.387731 0.820185\n-0.162061 -0.066819 7.606500\nH C N O\n14 14 2 2\ndirect\n0.475300 0.720920 0.872009 H\n0.891053 0.077535 0.123637 H\n0.391052 0.577537 0.623638 H\n0.921760 0.679561 0.702826 H\n0.835117 0.537440 0.457522 H\n0.335117 0.037440 0.957521 H\n0.933245 0.287337 0.804321 H\n0.421760 0.179560 0.202825 H\n0.414562 0.048699 0.591997 H\n0.914562 0.548697 0.091999 H\n0.348132 0.299907 0.491388 H\n0.848133 0.799904 0.991388 H\n0.975300 0.220920 0.372008 H\n0.433246 0.787335 0.304323 H\n0.355131 0.298420 0.771294 C\n0.895983 0.989848 0.251183 C\n0.395983 0.489849 0.751184 C\n0.944920 0.071666 0.389685 C\n0.444919 0.571666 0.889686 C\n0.855132 0.798420 0.271295 C\n0.954849 0.958486 0.552057 C\n0.300271 0.213605 0.621094 C\n0.864121 0.688107 0.436440 C\n0.364121 0.188108 0.936440 C\n0.913147 0.766363 0.575770 C\n0.413146 0.266362 0.075769 C\n0.800271 0.713603 0.121094 C\n0.454849 0.458486 0.052057 C\n0.528893 0.729343 0.170958 N\n0.028892 0.229344 0.670957 N\n0.509347 0.519060 0.196414 O\n0.009346 0.019062 0.696414 O\n",
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"structure_string": "Re2 As1 Ru1\n1.0\n0.000000 3.118181 3.118181\n3.118181 -0.000000 3.118181\n3.118181 3.118181 -0.000000\nRe As Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Ru\n",
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{
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"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
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{
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"updated_at": "2022-09-04T14:36:41.212678Z",
"structure_string": "H14 C14 N2 O2\n1.0\n3.921177 0.026368 0.076878\n0.240886 6.463906 1.314956\n-0.319079 0.114829 10.855893\nH C N O\n14 14 2 2\ndirect\n0.370907 0.070612 0.218730 H\n0.119505 0.809544 0.837670 H\n0.619514 0.309540 0.337668 H\n0.785376 0.113403 0.061961 H\n0.019082 0.356432 0.183075 H\n0.519070 0.856437 0.683076 H\n0.616135 0.029269 0.870911 H\n0.285368 0.613405 0.561962 H\n0.396103 0.829249 0.038339 H\n0.896099 0.329250 0.538338 H\n0.395246 0.242643 0.768769 H\n0.895251 0.742637 0.268771 H\n0.870894 0.570619 0.718731 H\n0.116146 0.529264 0.370912 H\n0.585116 0.098069 0.519340 C\n0.043399 0.657409 0.887752 C\n0.543404 0.157406 0.387752 C\n0.902315 0.522617 0.820912 C\n0.402322 0.022613 0.320912 C\n0.085118 0.598069 0.019341 C\n0.804715 0.325690 0.881903 C\n0.647101 0.182852 0.809017 C\n0.984959 0.403240 0.081397 C\n0.484952 0.903242 0.581397 C\n0.851316 0.268247 0.012421 C\n0.351312 0.768248 0.512421 C\n0.147107 0.682848 0.309018 C\n0.304718 0.825688 0.381904 C\n0.711080 0.241525 0.586132 N\n0.211084 0.741524 0.086133 N\n0.860281 0.145384 0.706078 O\n0.360287 0.645381 0.206079 O\n",
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{
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"structure_string": "Nb6 Si1 Sn1\n1.0\n5.241907 0.000000 -0.000000\n0.000000 5.241907 0.000000\n-0.000000 0.000000 5.241907\nNb Si Sn\n6 1 1\ndirect\n0.000000 0.500000 0.757555 Nb\n0.500000 0.242446 0.000000 Nb\n0.757555 0.000000 0.500000 Nb\n0.000000 0.500000 0.242446 Nb\n0.500000 0.757555 0.000000 Nb\n0.242446 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Sn\n",
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"spacegroup": 200
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{
"id": "jvasp-98190",
"created_at": "2022-09-04T14:35:57.339617Z",
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"structure_string": "Nb10 Si6\n1.0\n5.962120 -0.000000 -2.884644\n-1.395671 5.796336 -2.884639\n-0.004806 -0.006092 7.593785\nNb Si\n10 6\ndirect\n0.184539 0.016125 0.700688 Nb\n0.016148 0.516126 0.700688 Nb\n0.684547 0.184566 0.700697 Nb\n0.983852 0.483875 0.299314 Nb\n0.516149 0.684566 0.700697 Nb\n0.815461 0.983876 0.299314 Nb\n0.483851 0.315435 0.299304 Nb\n0.315453 0.815435 0.299304 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.629557 0.129573 0.999990 Si\n0.870432 0.629574 0.999991 Si\n0.129568 0.370427 0.000011 Si\n0.370443 0.870428 0.000011 Si\n0.750000 0.750001 0.500001 Si\n0.249999 0.250000 0.500000 Si\n",
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{
"id": "jvasp-86486",
"created_at": "2022-09-04T14:36:08.741660Z",
"updated_at": "2022-09-04T14:36:08.741683Z",
"structure_string": "Ho2 Mo2 C3\n1.0\n3.205648 0.000000 -0.916380\n-0.580732 5.290137 -2.031497\n0.001007 -0.021278 6.068652\nHo Mo C\n2 2 3\ndirect\n0.390009 0.175687 0.780017 Ho\n0.609993 0.824313 0.219982 Ho\n0.156261 0.326595 0.312519 Mo\n0.843742 0.673406 0.687480 Mo\n0.751235 0.264984 0.502468 C\n0.248767 0.735016 0.497531 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Fe2 B4 Mo4\n1.0\n6.386145 -0.000000 -0.000000\n0.000000 6.386145 -0.000000\n0.000000 0.000000 2.824274\nFe B Mo\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.342804 0.842802 0.499999 B\n0.657197 0.157196 0.499999 B\n0.842802 0.657197 0.499999 B\n0.157196 0.342804 0.499999 B\n0.642740 0.857258 0.000000 Mo\n0.357259 0.142741 0.000000 Mo\n0.857258 0.357259 0.000000 Mo\n0.142741 0.642740 0.000000 Mo\n",
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{
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]
}