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{
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{
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"structure_string": "Cu2 H2\n1.0\n2.646477 -0.000000 0.000000\n-1.323238 2.291917 0.000000\n-0.000000 0.000000 5.696699\nCu H\n2 2\ndirect\n0.333333 0.666668 0.306724 Cu\n0.666668 0.333333 0.693276 Cu\n0.333333 0.666668 0.822699 H\n0.666668 0.333333 0.177301 H\n",
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{
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"structure_string": "Na1 Ga1 H8 N2 F6\n1.0\n-0.000000 -4.267926 4.267926\n-4.267926 4.267926 -0.000000\n-0.000000 -4.267926 -4.267926\nNa Ga H N F\n1 1 8 2 6\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.459242 0.639496 0.819748 H\n0.180253 0.360505 0.819748 H\n0.180253 0.360505 0.540758 H\n0.180253 0.639496 0.819748 H\n0.819748 0.639496 0.180253 H\n0.819748 0.360505 0.180253 H\n0.540758 0.360505 0.180253 H\n0.819748 0.639496 0.459242 H\n0.750001 0.500000 0.250000 N\n0.250000 0.500000 0.750001 N\n0.774569 0.549138 0.774569 F\n0.225431 0.000000 0.225431 F\n0.225431 0.450863 0.225431 F\n0.774569 0.000000 0.225431 F\n0.225431 0.000000 0.774569 F\n0.774570 0.000000 0.774570 F\n",
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{
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"created_at": "2022-09-04T14:38:50.997734Z",
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"structure_string": "Li6 Co8 O16\n1.0\n4.916123 -0.015896 2.802225\n-1.611539 9.346009 -2.833104\n0.031248 0.007894 5.658719\nLi Co O\n6 8 16\ndirect\n0.500280 0.000006 0.999995 Li\n0.999719 0.499993 0.500006 Li\n0.000040 -0.000002 0.499720 Li\n0.499959 0.500001 0.000280 Li\n0.499768 -0.000009 0.500241 Li\n0.000231 0.500009 -0.000240 Li\n0.250004 0.250000 0.750000 Co\n0.250003 0.250000 0.249998 Co\n0.750000 0.250000 0.250001 Co\n0.750001 0.750001 0.250002 Co\n0.250001 0.750001 0.750000 Co\n0.250000 0.750001 0.250002 Co\n0.750002 0.250000 0.750001 Co\n0.750002 0.750000 0.749999 Co\n0.879692 0.144205 0.879685 O\n0.884823 0.644201 0.379687 O\n0.384828 0.144203 0.879705 O\n0.120326 0.855794 0.120299 O\n0.620304 0.355794 0.620317 O\n0.379672 0.644205 0.379703 O\n0.615174 0.855798 0.120316 O\n0.380253 0.140769 0.380264 O\n0.379688 0.644204 0.884843 O\n0.879677 0.144204 0.384840 O\n0.619750 0.859227 0.619731 O\n0.119744 0.359230 0.119737 O\n0.880249 0.640771 0.880272 O\n0.620320 0.355795 0.115162 O\n0.115169 0.355797 0.620297 O\n0.120311 0.855794 0.615158 O\n",
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{
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"structure_string": "Sn1 H16 C9 O4\n1.0\n4.544526 -0.043054 -0.684890\n-1.669095 6.611836 -1.016979\n-0.122473 0.204683 8.622412\nSn H C O\n1 16 9 4\ndirect\n0.154599 0.358519 0.632703 Sn\n0.818172 0.748213 0.029185 H\n0.582789 0.689653 0.775402 H\n0.158887 0.984416 0.513957 H\n0.788166 0.025981 0.448680 H\n0.893342 0.969094 0.645792 H\n0.956276 0.907522 0.214557 H\n0.408633 0.733272 0.584496 H\n0.213291 0.744427 0.748821 H\n0.437576 0.774322 0.289195 H\n0.919756 0.632902 0.351656 H\n0.746175 0.438613 0.192372 H\n0.025335 0.236760 0.082148 H\n0.957936 0.049242 0.917301 H\n0.401218 0.930256 0.971922 H\n0.540888 0.086943 0.158184 H\n0.331174 0.600639 0.109496 H\n0.610121 -0.000890 0.061255 C\n0.840490 0.138545 0.988879 C\n0.696084 0.547569 0.281914 C\n0.528855 0.688292 0.200722 C\n0.720802 0.270292 0.878542 C\n0.527917 0.431460 0.391784 C\n0.367927 0.673179 0.692732 C\n0.973828 0.043304 0.550143 C\n0.745919 0.834760 0.125811 C\n0.674483 0.386207 0.517486 O\n0.917736 0.405489 0.833971 O\n0.435378 0.241589 0.832770 O\n0.238684 0.387794 0.366793 O\n",
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{
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"created_at": "2022-09-04T14:38:09.032701Z",
"updated_at": "2022-09-04T14:38:09.032725Z",
"structure_string": "Li4 Ti1 Cr1 O6\n1.0\n5.010408 0.020341 -0.014461\n2.493313 4.352642 0.010844\n0.854776 1.447916 4.766019\nLi Ti Cr O\n4 1 1 6\ndirect\n0.486737 0.006604 0.999548 Li\n0.502622 0.498711 0.499516 Li\n0.185962 0.656979 0.999496 Li\n0.825207 0.337389 0.999517 Li\n0.835936 0.832050 0.499521 Ti\n0.166987 0.166517 0.499544 Cr\n0.497251 0.778204 0.731638 O\n0.497261 0.224572 0.267422 O\n0.151558 0.416289 0.726928 O\n0.151566 0.932172 0.272142 O\n0.859834 0.569462 0.271229 O\n0.859838 0.070714 0.727842 O\n",
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{
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"created_at": "2022-09-04T14:36:50.503101Z",
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"structure_string": "Sn1 H12 C7 O6\n1.0\n4.583779 -0.154516 -0.613242\n-1.847818 5.058086 -0.749760\n-0.312263 0.392951 9.769172\nSn H C O\n1 12 7 6\ndirect\n0.098492 0.372941 0.629594 Sn\n0.522917 0.827413 0.628699 H\n0.051097 0.902194 0.623557 H\n0.907056 0.001095 0.186122 H\n0.254371 0.570075 0.165574 H\n0.445295 0.854966 0.295479 H\n0.755017 0.706897 0.062085 H\n0.697218 0.406589 0.243234 H\n0.974888 0.278514 0.011057 H\n0.833974 0.008816 0.875479 H\n0.317759 0.829589 0.946880 H\n0.427835 0.110064 0.077742 H\n0.894785 0.696663 0.365861 H\n0.521013 0.980888 0.020485 C\n0.756411 0.141717 0.939409 C\n0.658076 0.560428 0.310585 C\n0.487750 0.708628 0.223957 C\n0.494025 0.429100 0.419950 C\n0.652435 0.305694 0.840398 C\n0.685113 0.849576 0.123183 C\n0.633203 0.346179 0.519333 O\n0.889143 0.979244 0.589770 O\n0.323538 0.764254 0.664837 O\n0.859433 0.464349 0.783961 O\n0.367526 0.291035 0.817377 O\n0.206861 0.402577 0.416656 O\n",
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"structure_string": "Sn1 H16 C9 O4\n1.0\n4.545282 -0.042847 -0.678859\n-1.668449 6.608479 -1.023137\n-0.133470 0.207882 8.623417\nSn H C O\n1 16 9 4\ndirect\n0.200741 0.658651 0.381635 Sn\n0.002557 0.207637 0.963466 H\n0.939905 0.268979 0.394684 H\n0.629106 -0.010157 0.524358 H\n0.259667 0.044722 0.497862 H\n0.454916 0.033529 0.333520 H\n0.864382 0.048226 0.778103 H\n0.834175 0.325901 0.197675 H\n0.205089 0.284485 0.262661 H\n0.447433 0.230380 0.720933 H\n0.004104 0.349286 0.666196 H\n0.071674 0.536967 0.831011 H\n0.792638 0.738700 0.941464 H\n0.965947 0.933191 0.100708 H\n0.483648 0.074446 0.038024 H\n0.377474 0.900566 0.858380 H\n0.587308 0.387195 0.907163 H\n0.575068 0.988360 0.949627 C\n0.742344 0.847719 0.030920 C\n0.886728 0.438681 0.737788 C\n0.656410 0.299262 0.810215 C\n0.574118 0.731605 0.140760 C\n0.766970 0.570420 0.627465 C\n0.020063 0.343289 0.299022 C\n0.414227 0.973413 0.441729 C\n0.792170 0.134848 0.874731 C\n0.963893 0.705670 0.582886 O\n0.720670 0.686334 0.266432 O\n0.284870 0.687947 0.115772 O\n0.481533 0.541660 0.581698 O\n",
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{
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"updated_at": "2022-09-04T14:36:15.220285Z",
"structure_string": "Ca2 Al2 B6 O14\n1.0\n4.397857 0.000000 -0.000000\n0.000000 6.843360 -1.971377\n0.000000 -0.703465 7.086822\nCa Al B O\n2 2 6 14\ndirect\n0.000000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.541943 0.137117 0.862883 B\n0.458058 0.637117 0.362883 B\n0.500000 0.250000 0.250000 B\n0.541943 0.362884 0.637116 B\n0.458058 0.862883 0.137116 B\n0.500000 0.750000 0.750000 B\n0.699718 0.926372 0.780263 O\n0.328954 0.750000 0.250000 O\n0.671047 0.250001 0.750000 O\n0.699718 0.280264 0.426371 O\n0.224051 0.131738 0.868263 O\n0.300283 0.780264 0.926371 O\n0.224051 0.368263 0.631737 O\n0.300283 0.073629 0.219737 O\n0.300283 0.719737 0.573628 O\n0.300283 0.426371 0.280263 O\n0.699718 0.219737 0.073629 O\n0.775949 0.868263 0.131737 O\n0.699718 0.573629 0.719736 O\n0.775949 0.631737 0.368262 O\n",
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],
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{
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"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
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},
{
"id": "jvasp-112904",
"created_at": "2022-09-04T14:38:44.577805Z",
"updated_at": "2022-09-04T14:38:44.577835Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n",
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"elements": [
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],
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{
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}
]
}