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{
"id": "jvasp-91894",
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"structure_string": "Rb1 Mg7\n1.0\n7.023895 -0.000000 0.000000\n-3.511948 6.082871 -0.000000\n0.000000 -0.000000 5.294681\nRb Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Rb\n0.174511 0.837255 0.250000 Mg\n0.662745 0.325488 0.250000 Mg\n0.662745 0.837255 0.250000 Mg\n0.352148 0.147852 0.750000 Mg\n0.352148 0.704296 0.750000 Mg\n0.795704 0.147852 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
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"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n6.268074 -0.000000 -2.216099\n-3.134037 5.428311 -2.216099\n-0.000000 -0.000000 6.648296\nSr Pr Mn O\n3 1 4 12\ndirect\n0.499999 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.245752 0.245752 0.491504 O\n0.754247 0.754247 0.508496 O\n0.754247 0.000000 0.245752 O\n0.245752 0.491504 0.245752 O\n0.245752 0.000000 0.754248 O\n-0.000000 0.754247 0.245752 O\n0.508495 0.754247 0.754247 O\n-0.000000 0.245752 0.754248 O\n0.245752 0.754247 -0.000000 O\n0.491504 0.245752 0.245752 O\n0.754247 0.508496 0.754247 O\n0.754247 0.245752 -0.000000 O\n",
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{
"id": "jvasp-66680",
"created_at": "2022-09-04T14:35:51.497034Z",
"updated_at": "2022-09-04T14:35:51.497059Z",
"structure_string": "Ba4 V1 Pd1\n1.0\n0.000000 4.836019 4.836019\n4.836019 -0.000000 4.836019\n4.836019 4.836019 0.000000\nBa V Pd\n4 1 1\ndirect\n0.126079 0.624641 0.624641 Ba\n0.624641 0.624641 0.624641 Ba\n0.624641 0.126079 0.624641 Ba\n0.624641 0.624641 0.126079 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:02.116492Z",
"updated_at": "2022-09-04T14:37:02.116527Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.367898 0.000000 0.000000\n0.000000 5.484166 0.000000\n0.000000 0.000000 7.681656\nTi Cd O\n4 4 12\ndirect\n0.755186 0.663090 0.250677 Ti\n0.244814 0.163090 0.749323 Ti\n0.244814 0.163090 0.250677 Ti\n0.755186 0.663090 0.749323 Ti\n0.261917 0.692709 0.500000 Cd\n0.738084 0.192708 0.500000 Cd\n0.752506 0.114348 0.000000 Cd\n0.247494 0.614348 0.000000 Cd\n0.841784 0.613774 0.500000 O\n0.158217 0.113774 0.500000 O\n0.447667 0.440348 0.298362 O\n0.552334 0.940348 0.701639 O\n0.552334 0.940348 0.298362 O\n0.949808 0.344896 0.203212 O\n0.050192 0.844897 0.203212 O\n0.949808 0.344896 0.796789 O\n0.338851 0.172604 0.000000 O\n0.050192 0.844897 0.796789 O\n0.447667 0.440348 0.701639 O\n0.661149 0.672604 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:51.936999Z",
"updated_at": "2022-09-04T14:36:51.937023Z",
"structure_string": "Ca2 Fe2 Si4 O12\n1.0\n5.114136 -0.137438 1.070761\n1.258324 6.546833 0.619812\n-0.183744 0.182021 6.690417\nCa Fe Si O\n2 2 4 12\ndirect\n0.750001 0.303227 0.696772 Ca\n0.250000 0.696772 0.303228 Ca\n0.750000 0.918229 0.081771 Fe\n0.250001 0.081771 0.918230 Fe\n0.268240 0.192788 0.385828 Si\n0.768240 0.385828 0.192788 Si\n0.731761 0.807211 0.614172 Si\n0.231761 0.614171 0.807212 Si\n-0.014338 0.624947 0.672269 O\n0.014339 0.375052 0.327732 O\n0.828933 0.886565 0.382224 O\n0.671067 0.617775 0.113434 O\n0.846388 0.217208 0.027503 O\n0.328934 0.382224 0.886566 O\n0.514339 0.327731 0.375052 O\n0.153613 0.782791 0.972497 O\n0.346388 0.027503 0.217208 O\n0.653613 0.972496 0.782792 O\n0.171068 0.113434 0.617776 O\n0.485662 0.672268 0.624948 O\n",
"nsites": 20,
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{
"id": "jvasp-116783",
"created_at": "2022-09-04T14:38:45.238360Z",
"updated_at": "2022-09-04T14:38:45.238385Z",
"structure_string": "Sr4 Fe4 O11\n1.0\n6.656920 -0.042893 0.000000\n-2.298982 6.247488 0.000000\n-0.000000 -0.000000 5.450223\nSr Fe O\n4 4 11\ndirect\n0.258488 0.741512 -0.000000 Sr\n0.741512 0.258489 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.746133 0.746133 -0.000000 Fe\n0.253868 0.253868 -0.000000 Fe\n0.500000 0.500000 -0.000000 O\n0.350465 0.107797 0.241270 O\n0.649536 0.892204 0.241270 O\n0.107797 0.350465 0.758729 O\n0.892204 0.649536 0.241270 O\n0.649536 0.892204 0.758729 O\n0.350465 0.107797 0.758729 O\n0.733180 0.266821 0.500000 O\n0.107797 0.350465 0.241270 O\n0.892204 0.649536 0.758729 O\n0.266820 0.733180 0.500000 O\n",
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{
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"updated_at": "2022-09-04T14:35:48.193414Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n0.000000 4.039934 0.074966\n6.189252 0.000000 0.000000\n0.000000 -0.353904 -9.049563\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718728 0.647319 0.126651 H\n0.281272 0.147319 0.873348 H\n0.364206 0.793168 0.049680 H\n0.635794 0.293168 0.950319 H\n0.718666 0.939146 0.126586 H\n0.281334 0.439146 0.873413 H\n0.138984 0.793270 0.584827 Au\n0.861016 0.293270 0.415172 Au\n0.323082 0.793292 0.393976 C\n0.676918 0.293293 0.606023 C\n0.565659 0.793225 0.136823 C\n0.434340 0.293225 0.863177 C\n0.430302 0.793275 0.277389 N\n0.569698 0.293275 0.722610 N\n0.920712 0.793212 0.812966 Cl\n0.079288 0.293212 0.187034 Cl\n",
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{
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"structure_string": "H8 I2 N2 O8\n1.0\n5.567920 0.000001 -2.395590\n-1.030699 5.471690 -2.395589\n-0.072977 -0.088008 7.498763\nH I N O\n8 2 2 8\ndirect\n0.641686 0.059299 0.348983 H\n0.289684 0.141686 0.848983 H\n0.559299 0.207297 0.848983 H\n0.707297 0.789684 0.348983 H\n0.358313 0.940700 0.651016 H\n0.710315 0.858314 0.151016 H\n0.440700 0.792702 0.151016 H\n0.292702 0.210315 0.651016 H\n0.874999 0.625000 0.749999 I\n0.125000 0.375000 0.250000 I\n0.375000 0.125000 0.749999 N\n0.625000 0.875000 0.250000 N\n0.658277 0.337453 0.586899 O\n0.341722 0.662547 0.413100 O\n0.071378 0.250554 0.413100 O\n0.750554 0.841722 0.913100 O\n0.837453 0.428622 0.086899 O\n0.249445 0.158278 0.086899 O\n0.928621 0.749445 0.586899 O\n0.162546 0.571378 0.913100 O\n",
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{
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"created_at": "2022-09-04T14:36:17.601771Z",
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"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.033339 0.000000 -0.234807\n0.000000 6.187904 0.000000\n0.007253 0.000000 9.058915\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718625 0.560900 0.126745 H\n0.363893 0.706597 0.049848 H\n0.281795 0.352798 0.873335 H\n0.281375 0.060901 0.873255 H\n0.636107 0.206597 0.950152 H\n0.718205 0.852797 0.126665 H\n0.138933 0.706757 0.584916 Au\n0.861067 0.206758 0.415084 Au\n0.677090 0.206757 0.605934 C\n0.322909 0.706757 0.394066 C\n0.434616 0.206763 0.863073 C\n0.565383 0.706763 0.136927 C\n0.430056 0.706756 0.277481 N\n0.569943 0.206756 0.722519 N\n0.079239 0.206760 0.186961 Cl\n0.920760 0.706759 0.813039 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:42.380191Z",
"structure_string": "Rb3 Dy1 P2 O8\n1.0\n5.738362 -0.000000 0.000000\n-2.869180 4.969568 0.000000\n-0.000000 -0.000000 7.928091\nRb Dy P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.736598 Rb\n0.666666 0.333333 0.263402 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666667 0.268190 P\n0.666666 0.333333 0.731810 P\n0.333333 0.666667 0.076596 O\n0.666666 0.333333 0.923404 O\n0.185802 0.814198 0.338029 O\n0.814198 0.185802 0.661971 O\n0.185802 0.371605 0.338029 O\n0.814198 0.628395 0.661971 O\n0.628395 0.814198 0.338029 O\n0.371605 0.185802 0.661971 O\n",
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{
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"structure_string": "H8 I2 N2 O8\n1.0\n5.567223 0.000001 -2.395290\n-1.030570 5.471005 -2.395289\n-0.072369 -0.087275 7.499216\nH I N O\n8 2 2 8\ndirect\n0.641620 0.059299 0.348961 H\n0.289661 0.141620 0.848961 H\n0.559299 0.207339 0.848961 H\n0.707340 0.789661 0.348961 H\n0.358379 0.940699 0.651038 H\n0.710338 0.858378 0.151038 H\n0.440700 0.792659 0.151038 H\n0.292659 0.210337 0.651039 H\n0.874999 0.624999 0.750000 I\n0.125000 0.374999 0.250000 I\n0.375000 0.124999 0.750000 N\n0.624999 0.874999 0.249999 N\n0.658285 0.337427 0.586954 O\n0.341714 0.662571 0.413045 O\n0.071331 0.250474 0.413045 O\n0.750474 0.841712 0.913045 O\n0.837427 0.428668 0.086954 O\n0.249525 0.158286 0.086954 O\n0.928668 0.749524 0.586954 O\n0.162572 0.571330 0.913045 O\n",
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}