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"id": "jvasp-104106",
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"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
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{
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"structure_string": "Li2 Ge1 Pb1 S4\n1.0\n5.514447 -0.050837 -2.547276\n-3.245153 5.040782 -0.979711\n-0.032728 0.050837 6.074263\nLi Ge Pb S\n2 1 1 4\ndirect\n0.500000 0.250000 0.749999 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.601772 0.463180 0.463180 S\n0.000000 0.536819 0.138590 S\n0.000000 0.138590 0.536819 S\n0.398229 0.861410 0.861409 S\n",
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{
"id": "jvasp-99678",
"created_at": "2022-09-04T14:36:43.914964Z",
"updated_at": "2022-09-04T14:36:43.914988Z",
"structure_string": "K2 Rb1 In1 Br6\n1.0\n7.126804 0.000000 4.114662\n2.375601 6.719215 4.114662\n-0.000000 0.000000 8.229325\nK Rb In Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.769844 0.230156 0.230155 Br\n0.230155 0.230155 0.769844 Br\n0.230155 0.769845 0.769844 Br\n0.230155 0.769845 0.230156 Br\n0.769844 0.230156 0.769844 Br\n0.769844 0.769845 0.230155 Br\n",
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{
"id": "jvasp-47823",
"created_at": "2022-09-04T14:36:44.285380Z",
"updated_at": "2022-09-04T14:36:44.285390Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.690915 -4.660802 -0.000000\n2.690915 4.660802 0.000000\n-0.000000 -0.000000 12.099466\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000001 0.500000 0.833333 Fe\n0.500001 0.500001 0.166667 Fe\n0.500000 0.000001 0.500000 Fe\n0.000001 0.500000 0.333333 Si\n0.500001 0.500001 0.666667 Si\n0.500000 0.000001 0.000000 Si\n0.815008 0.605752 0.258763 O\n0.790746 0.605752 0.741237 O\n0.394249 0.184993 0.074570 O\n0.394249 0.209256 0.592096 O\n0.605752 0.790746 0.592096 O\n0.209256 0.815008 0.925431 O\n0.209256 0.394249 0.741237 O\n0.184993 0.394249 0.258763 O\n0.790746 0.184994 0.925431 O\n0.184994 0.790746 0.407904 O\n0.605752 0.815008 0.074570 O\n0.815008 0.209256 0.407904 O\n",
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"structure_string": "Rb2 Sc1 Ag1 Cl6\n1.0\n6.327414 0.000000 3.653133\n2.109138 5.965543 3.653133\n0.000000 0.000000 7.306268\nRb Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.759842 0.240158 0.240158 Cl\n0.240158 0.240158 0.759842 Cl\n0.240158 0.759842 0.759842 Cl\n0.240158 0.759842 0.240157 Cl\n0.759842 0.240158 0.759842 Cl\n0.759842 0.759842 0.240157 Cl\n",
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{
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"created_at": "2022-09-04T14:37:00.201001Z",
"updated_at": "2022-09-04T14:37:00.201021Z",
"structure_string": "Tb3 Mn3 Ga2 Si1\n1.0\n6.886229 -0.000000 0.000000\n-3.443115 5.963649 0.000000\n-0.000000 -0.000000 4.179709\nTb Mn Ga Si\n3 3 2 1\ndirect\n0.336455 0.244601 0.500000 Tb\n0.908145 0.663545 0.500000 Tb\n0.755399 0.091854 0.500000 Tb\n0.344691 0.898324 -0.000000 Mn\n0.553633 0.655309 -0.000000 Mn\n0.101676 0.446367 -0.000000 Mn\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 -0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:36:44.689260Z",
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"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
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"structure_string": "Ba1 La1 Fe1 O4\n1.0\n3.868557 0.225011 -6.375269\n-0.111687 3.873485 -6.375269\n-0.206256 -0.225011 7.454344\nBa La Fe O\n1 1 1 4\ndirect\n0.645196 0.645195 -0.000001 Ba\n0.357274 0.357273 -0.000001 La\n0.987571 0.987569 -0.000002 Fe\n0.838511 0.838510 -0.000001 O\n0.193309 0.193309 -0.000000 O\n0.489068 0.989067 0.499998 O\n0.989069 0.489068 0.499999 O\n",
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"structure_string": "Rb2 Na1 Sm1 Cl6\n1.0\n6.548246 -0.000000 3.780632\n2.182749 6.173746 3.780632\n-0.000000 -0.000000 7.561263\nRb Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sm\n0.750047 0.249953 0.249953 Cl\n0.249953 0.249953 0.750046 Cl\n0.249953 0.750047 0.750046 Cl\n0.249953 0.750047 0.249953 Cl\n0.750047 0.249953 0.750046 Cl\n0.750047 0.750047 0.249952 Cl\n",
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"structure_string": "Rb2 Na1 Ni1 F6\n1.0\n5.121366 -0.000000 2.956823\n1.707122 4.828472 2.956823\n-0.000000 -0.000000 5.913645\nRb Na Ni F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.227637 0.772363 0.772364 F\n0.227637 0.772363 0.227637 F\n0.772364 0.227637 0.772363 F\n0.227637 0.227637 0.772364 F\n0.772364 0.227637 0.227636 F\n0.772364 0.772363 0.227636 F\n",
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}