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"structure_string": "H12 C14 N4 O2\n1.0\n6.499317 0.212452 -3.194542\n-3.480812 5.985731 -0.465599\n-0.190848 -0.130477 6.918595\nH C N O\n12 14 4 2\ndirect\n0.741870 0.133012 0.670977 H\n0.061750 0.429899 0.775329 H\n0.220927 0.204602 0.859888 H\n0.352564 0.008192 0.376873 H\n0.428079 0.270144 0.634632 H\n0.218808 0.674106 0.148052 H\n0.063871 0.960397 0.487169 H\n0.698249 0.870463 0.203307 H\n0.540806 0.501485 0.964243 H\n0.854503 0.364340 0.000547 H\n0.930050 0.626288 0.258333 H\n0.584426 0.764036 0.431915 H\n0.103976 0.897307 0.633466 C\n0.091119 0.597145 0.790654 C\n0.178717 0.737196 0.001759 C\n0.391186 0.307671 0.327708 C\n0.051464 0.675951 0.601513 C\n0.231238 0.958555 0.033713 C\n0.191571 0.037357 0.844570 C\n0.551245 0.602991 0.678932 C\n0.692933 0.994503 0.735740 C\n0.891581 0.326854 0.307544 C\n0.731449 0.031512 0.956294 C\n0.589755 0.639997 0.899483 C\n0.677730 0.849628 0.036881 C\n0.604957 0.784875 0.598341 C\n0.964650 0.548983 0.380562 N\n0.818916 0.249964 0.080727 N\n0.463776 0.384537 0.554500 N\n0.318056 0.085527 0.254665 N\n0.891802 0.207753 0.433001 O\n0.391085 0.426802 0.202288 O\n",
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{
"id": "jvasp-103864",
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"structure_string": "H12 C14 N4 O2\n1.0\n4.618844 0.049885 0.035836\n0.158040 6.293416 0.399587\n-0.055099 0.161670 9.506241\nH C N O\n12 14 4 2\ndirect\n0.128398 0.146990 0.785010 H\n0.469370 0.089890 0.667511 H\n0.971708 0.333707 0.225865 H\n0.299181 0.615637 0.294122 H\n0.291747 0.877077 0.145074 H\n0.304297 0.424600 0.532010 H\n0.136790 -0.000995 0.361368 H\n0.482651 0.571956 0.946586 H\n0.312672 0.276625 0.108378 H\n0.149303 0.546542 0.748306 H\n0.141856 0.807942 0.599252 H\n0.958411 0.851651 0.946798 H\n0.953366 0.092286 0.398488 C\n0.576795 0.142298 0.570014 C\n0.487711 0.331311 0.494888 C\n0.677774 0.726398 0.207917 C\n0.810849 0.020156 0.522296 C\n0.630219 0.403436 0.371077 C\n0.864282 0.281298 0.323361 C\n0.623154 0.044367 0.039347 C\n0.950463 0.175806 0.856884 C\n0.763262 0.697201 0.685462 C\n0.817904 0.379241 0.854039 C\n0.490600 0.247805 0.036504 C\n0.585636 0.414362 0.945267 C\n0.855425 0.009247 0.948121 C\n0.920997 0.833348 0.598630 N\n0.929087 0.543573 0.761867 N\n0.511960 0.880034 0.131514 N\n0.520043 0.590239 0.294741 N\n0.492373 0.709546 0.693767 O\n0.948659 0.714054 0.199615 O\n",
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{
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"structure_string": "Ca8 C4 O12 F8\n1.0\n6.512885 -0.000000 0.000000\n0.000000 7.557026 0.000000\n0.000000 0.000000 7.685576\nCa C O F\n8 4 12 8\ndirect\n0.533138 0.838508 0.675263 Ca\n0.966861 0.838508 0.324737 Ca\n0.466861 0.661493 0.175263 Ca\n0.466861 0.161492 0.324737 Ca\n0.966861 0.338508 0.175263 Ca\n0.033138 0.161492 0.675263 Ca\n0.533138 0.338508 0.824737 Ca\n0.033138 0.661493 0.824737 Ca\n0.749999 0.470868 0.500000 C\n0.250000 0.029133 0.000000 C\n0.250000 0.529133 0.500000 C\n0.749999 0.970868 0.000000 C\n0.822415 0.554626 0.367344 O\n0.322416 0.445375 0.367344 O\n0.177584 0.445375 0.632657 O\n0.822415 0.054626 0.132656 O\n0.322416 0.945375 0.132656 O\n0.677583 0.054626 0.867344 O\n0.677583 0.554626 0.632657 O\n0.749999 0.298162 0.500000 O\n0.250000 0.701838 0.500000 O\n0.749999 0.798163 0.000000 O\n0.250000 0.201838 0.000000 O\n0.177584 0.945375 0.867344 O\n0.602983 0.378609 0.120232 F\n0.102983 0.121391 0.379769 F\n0.897016 0.378609 0.879769 F\n0.397017 0.621391 0.879769 F\n0.602983 0.878609 0.379769 F\n0.102983 0.621391 0.120232 F\n0.397017 0.121391 0.620232 F\n0.897016 0.878609 0.620232 F\n",
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{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
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"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
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{
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"created_at": "2022-09-04T14:38:27.951958Z",
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"structure_string": "Nd8 Ge4 O20\n1.0\n0.000000 7.018488 -0.053940\n7.323594 0.000000 0.000000\n0.000000 -2.992516 -9.601626\nNd Ge O\n8 4 20\ndirect\n0.746195 0.118551 0.528988 Nd\n0.753805 0.618550 0.471012 Nd\n0.253805 0.881449 0.471012 Nd\n0.246195 0.381449 0.528988 Nd\n0.926672 0.652802 0.149166 Nd\n0.573328 0.152802 0.850834 Nd\n0.073328 0.347198 0.850834 Nd\n0.426672 0.847197 0.149166 Nd\n0.487938 0.363558 0.206454 Ge\n0.012062 0.863558 0.793546 Ge\n0.987938 0.136441 0.206454 Ge\n0.512062 0.636441 0.793546 Ge\n0.977932 0.857642 0.602013 O\n0.245165 0.035176 0.823824 O\n0.254834 0.535176 0.176177 O\n0.143308 0.921727 0.216956 O\n0.356691 0.421727 0.783045 O\n0.856692 0.078273 0.783045 O\n0.643309 0.578273 0.216956 O\n0.522068 0.357643 0.397987 O\n0.477932 0.642357 0.602013 O\n0.048672 0.617177 0.389706 O\n0.308693 0.107581 0.974173 O\n0.191307 0.607581 0.025828 O\n0.691307 0.892419 0.025827 O\n0.808693 0.392419 0.974173 O\n0.745165 0.464824 0.823824 O\n0.451328 0.117177 0.610295 O\n0.951328 0.382823 0.610295 O\n0.548672 0.882823 0.389706 O\n0.022068 0.142357 0.397987 O\n0.754835 0.964823 0.176177 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.627054Z",
"structure_string": "Zn4 Bi4 As4 O20\n1.0\n7.629750 0.000000 0.000000\n0.000000 6.852818 0.000000\n0.000000 0.000000 8.724922\nZn Bi As O\n4 4 4 20\ndirect\n-0.031312 0.617442 0.205169 Zn\n0.531312 0.382559 0.705169 Zn\n0.031312 0.117442 0.294831 Zn\n0.468688 0.882559 0.794831 Zn\n0.284755 0.677169 0.491955 Bi\n0.215245 0.322832 -0.008045 Bi\n0.715245 0.177169 0.008045 Bi\n0.784755 0.822832 0.508045 Bi\n0.961398 0.340026 0.638153 As\n0.538602 0.659975 0.138153 As\n0.461398 0.159975 0.361847 As\n0.038602 0.840026 0.861847 As\n0.339802 0.640497 0.227686 O\n0.477886 0.162536 0.841882 O\n0.022114 0.837465 0.341882 O\n0.790905 0.338531 0.766323 O\n0.709095 0.661469 0.266323 O\n0.209095 0.838531 0.733677 O\n0.290905 0.161469 0.233677 O\n0.160198 0.359503 0.727685 O\n0.839802 0.859503 0.772314 O\n-0.050999 0.543867 0.521298 O\n0.952044 0.140872 0.518868 O\n0.547956 0.859129 0.018868 O\n0.047956 0.640872 0.981132 O\n0.452044 0.359128 0.481132 O\n-0.022114 0.337464 0.158118 O\n0.550999 0.456133 0.021298 O\n0.050999 0.043867 0.978701 O\n0.449001 0.956134 0.478701 O\n0.660198 0.140497 0.272314 O\n0.522114 0.662536 0.658118 O\n",
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{
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"created_at": "2022-09-04T14:37:30.618911Z",
"updated_at": "2022-09-04T14:37:30.618931Z",
"structure_string": "Sm8 Si4 Te4 O16\n1.0\n6.273321 0.000000 0.000000\n0.000000 7.136894 0.000000\n0.000000 0.000000 11.174059\nSm Si Te O\n8 4 4 16\ndirect\n0.389131 0.750000 0.500000 Sm\n0.389131 0.750000 0.000000 Sm\n0.610868 0.250000 0.500000 Sm\n0.610868 0.250000 0.000000 Sm\n0.886786 0.964835 0.750000 Sm\n0.886786 0.535164 0.250000 Sm\n0.113214 0.464835 0.750000 Sm\n0.113214 0.035164 0.250000 Sm\n0.112544 0.250000 0.000000 Si\n0.887456 0.750000 0.000000 Si\n0.887456 0.750000 0.500000 Si\n0.112544 0.250000 0.500000 Si\n0.402612 0.082286 0.750000 Te\n0.402612 0.417713 0.250000 Te\n0.597388 0.582286 0.750000 Te\n0.597388 0.917713 0.250000 Te\n0.948353 0.266276 0.383402 O\n0.948353 0.233724 0.616598 O\n0.948353 0.233724 0.883402 O\n0.948353 0.266276 0.116598 O\n0.051647 0.766275 0.116598 O\n0.051647 0.766275 0.383402 O\n0.270339 0.074083 0.035422 O\n0.270339 0.425917 0.964578 O\n0.729660 0.925916 0.535422 O\n0.729660 0.925916 0.964578 O\n0.729660 0.574083 0.035422 O\n0.270339 0.425917 0.535422 O\n0.270339 0.074083 0.464578 O\n0.051647 0.733724 0.883402 O\n0.729660 0.574083 0.464578 O\n0.051647 0.733724 0.616598 O\n",
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{
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"structure_string": "Tb8 Si4 Se4 O16\n1.0\n6.061404 0.000000 0.000000\n0.000000 6.982388 0.000000\n0.000000 0.000000 10.848455\nTb Si Se O\n8 4 4 16\ndirect\n0.131841 0.028470 0.250000 Tb\n0.868159 0.528470 0.250000 Tb\n0.868159 0.971530 0.750000 Tb\n0.607384 0.250000 0.000000 Tb\n0.607384 0.250000 0.500000 Tb\n0.392616 0.750000 0.000000 Tb\n0.392616 0.750000 0.500000 Tb\n0.131841 0.471530 0.750000 Tb\n0.111873 0.250000 0.500000 Si\n0.888127 0.750000 0.500000 Si\n0.888127 0.750000 0.000000 Si\n0.111873 0.250000 0.000000 Si\n0.422628 0.377035 0.250000 Se\n0.422628 0.122965 0.750000 Se\n0.577371 0.877036 0.250000 Se\n0.577371 0.622965 0.750000 Se\n0.275195 0.068829 0.467799 O\n0.945268 0.259463 0.379383 O\n0.945268 0.240537 0.620618 O\n0.945268 0.240537 0.879383 O\n0.945268 0.259463 0.120617 O\n0.054732 0.759463 0.120617 O\n0.054732 0.759463 0.379383 O\n0.275195 0.068829 0.032201 O\n0.275195 0.431171 0.967799 O\n0.724804 0.568830 0.467799 O\n0.724804 0.931171 0.532201 O\n0.724804 0.931171 0.967799 O\n0.724804 0.568830 0.032201 O\n0.275195 0.431171 0.532201 O\n0.054732 0.740537 0.879383 O\n0.054732 0.740537 0.620618 O\n",
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