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{
"id": "jvasp-103933",
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"structure_string": "Zn1 H18 C11 O4\n1.0\n3.979411 0.234580 0.101189\n1.661606 4.552957 0.100246\n-0.033999 -0.217981 15.322809\nZn H C O\n1 18 11 4\ndirect\n0.071730 0.096504 0.160286 Zn\n0.845808 0.781521 0.489524 H\n0.168609 0.320918 0.394463 H\n0.997623 0.182658 0.911028 H\n0.765263 0.233530 0.712695 H\n0.194798 0.203883 0.749050 H\n0.955798 0.276488 0.553980 H\n0.389485 0.241559 0.588866 H\n0.273040 0.754414 0.526296 H\n0.588129 0.184029 0.869505 H\n0.229301 0.662503 0.957134 H\n0.646985 0.644659 0.999388 H\n0.453863 0.698739 0.803298 H\n0.880756 0.675837 0.839286 H\n0.657889 0.740385 0.647184 H\n0.091297 0.704731 0.682075 H\n0.021742 0.831461 0.331147 H\n0.419632 0.840731 0.373283 H\n0.593923 0.304597 0.430630 H\n0.487925 0.307348 0.047033 C\n0.508200 0.507497 0.972912 C\n0.718612 0.331952 0.892474 C\n0.733852 0.538360 0.817945 C\n0.916259 0.367350 0.734531 C\n0.309959 0.459051 0.418241 C\n0.110333 0.407202 0.575909 C\n0.126255 0.619080 0.503042 C\n0.303571 0.685475 0.347880 C\n0.516637 0.559935 0.264101 C\n0.936286 0.573921 0.660511 C\n0.765906 0.064189 0.063080 O\n0.471626 0.727977 0.197351 O\n0.752888 0.287681 0.264171 O\n0.190831 0.391157 0.091719 O\n",
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{
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"structure_string": "Rb4 Mg2\n1.0\n0.000000 0.000000 5.637623\n6.573768 3.795364 0.000000\n-1.145374 9.574577 0.000000\nRb Mg\n4 2\ndirect\n0.500000 0.366678 0.051527 Rb\n0.000000 0.915128 0.051528 Rb\n0.000000 0.633323 0.615138 Rb\n0.500000 0.084871 0.615139 Rb\n0.000000 0.390950 0.333334 Mg\n0.500000 0.609051 0.333334 Mg\n",
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{
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"created_at": "2022-09-04T14:37:01.020292Z",
"updated_at": "2022-09-04T14:37:01.020319Z",
"structure_string": "H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n",
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{
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"created_at": "2022-09-04T14:37:53.719185Z",
"updated_at": "2022-09-04T14:37:53.719242Z",
"structure_string": "Rb2 Mg6\n1.0\n4.160673 -7.206497 0.000000\n4.160673 7.206497 -0.000000\n0.000000 -0.000000 5.128538\nRb Mg\n2 6\ndirect\n0.666667 0.333333 0.750000 Rb\n0.333333 0.666667 0.250000 Rb\n0.744549 0.872275 0.750000 Mg\n0.127725 0.255451 0.750000 Mg\n0.127724 0.872275 0.750000 Mg\n0.872275 0.127724 0.250000 Mg\n0.872275 0.744549 0.250000 Mg\n0.255451 0.127725 0.250000 Mg\n",
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{
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"structure_string": "H12 C20 S4 O2\n1.0\n4.617675 -0.059931 -0.211900\n-0.732955 7.979484 -2.631492\n0.041930 -0.056705 10.899187\nH C S O\n12 20 4 2\ndirect\n0.647040 0.872927 0.838568 H\n0.907156 0.013152 0.319453 H\n0.948185 0.092561 0.595130 H\n0.448186 0.092561 0.095131 H\n0.740187 0.571689 0.843069 H\n0.240187 0.571689 0.343069 H\n0.407157 0.013151 0.819453 H\n0.837837 0.343751 0.219411 H\n0.117411 0.828206 0.973410 H\n0.617410 0.828206 0.473410 H\n0.147041 0.872927 0.338568 H\n0.337837 0.343750 0.719411 H\n0.834913 0.071780 0.782074 C\n0.341413 0.440016 0.017900 C\n0.841412 0.440016 0.517900 C\n0.084341 0.941741 0.272139 C\n0.584340 0.941741 0.772139 C\n0.199924 0.314446 0.901175 C\n0.699924 0.314446 0.401175 C\n0.941912 0.810884 0.151904 C\n0.441912 0.810883 0.651905 C\n0.334914 0.071781 0.282074 C\n0.696780 0.276047 0.267749 C\n0.080523 0.569060 0.528618 C\n0.196780 0.276047 0.767749 C\n0.960443 0.765923 0.019201 C\n0.460443 0.765922 0.519201 C\n0.986848 0.138162 0.700190 C\n0.486847 0.138162 0.200190 C\n0.754948 0.627220 0.948329 C\n0.254949 0.627220 0.448329 C\n0.580522 0.569060 0.028617 C\n0.174592 0.683257 0.690177 S\n0.674591 0.683257 0.190177 S\n0.448234 0.178124 0.442465 S\n0.948234 0.178124 0.942465 S\n0.745287 0.435345 0.623787 O\n0.245287 0.435345 0.123787 O\n",
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{
"id": "jvasp-85040",
"created_at": "2022-09-04T14:37:15.401733Z",
"updated_at": "2022-09-04T14:37:15.401764Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
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},
{
"id": "jvasp-81990",
"created_at": "2022-09-04T14:37:12.206485Z",
"updated_at": "2022-09-04T14:37:12.206502Z",
"structure_string": "Ca3 Mg1\n1.0\n4.793970 0.000000 0.000000\n0.000000 5.407017 0.000000\n0.000000 0.000000 5.412833\nCa Mg\n3 1\ndirect\n0.000000 0.000000 -0.083367 Ca\n0.500000 0.000000 0.416647 Ca\n0.500000 0.500000 0.916696 Ca\n0.000000 0.500000 0.416689 Mg\n",
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{
"id": "jvasp-112139",
"created_at": "2022-09-04T14:38:45.406115Z",
"updated_at": "2022-09-04T14:38:45.406141Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.185558 -0.325759 -0.252381\n-1.513608 4.391157 -0.020677\n-0.017056 0.123099 15.158224\nZn H C O\n1 18 11 4\ndirect\n0.018338 0.843200 0.844584 Zn\n0.251301 0.751483 0.535034 H\n0.715125 0.289858 0.566083 H\n0.053369 0.842178 0.075180 H\n0.049064 0.035078 0.265584 H\n0.369585 -0.078737 0.227396 H\n0.376123 0.154596 0.415567 H\n0.687366 0.030898 0.376420 H\n0.559144 0.625586 0.494622 H\n0.725447 0.935619 0.117679 H\n0.288564 0.374784 0.069046 H\n0.633335 0.338008 0.014023 H\n0.592680 0.494257 0.223915 H\n-0.082116 0.393979 0.181793 H\n0.908495 0.617647 0.379887 H\n0.222711 0.496013 0.340831 H\n0.655198 0.934498 0.690533 H\n0.919511 0.768026 0.641834 H\n0.022871 0.172474 0.520198 H\n0.455357 0.670024 0.958855 C\n0.533811 0.507259 0.038758 C\n0.802222 0.739097 0.105168 C\n0.844168 0.592937 0.193371 C\n0.116923 0.830709 0.257371 C\n0.785115 0.087973 0.556489 C\n0.439979 0.947432 0.408858 C\n0.494405 0.832151 0.501013 C\n0.866924 0.981172 0.646431 C\n0.295358 0.200734 0.768231 C\n0.158182 0.702371 0.348528 C\n0.695798 0.904280 0.926256 O\n0.576786 0.409026 0.794810 O\n0.180991 0.236522 0.684103 O\n0.140635 0.570931 0.927929 O\n",
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"structure_string": "Li3 As1\n1.0\n4.194171 -0.000000 0.000000\n-2.097085 3.632259 -0.000000\n0.000000 -0.000000 6.088402\nLi As\n3 1\ndirect\n0.333333 0.666667 0.796246 Li\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.203753 Li\n0.666667 0.333333 0.000000 As\n",
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{
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"structure_string": "Sb1 O1 F1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSb O F\n1 1 1\ndirect\n0.000000 0.000000 0.736755 Sb\n0.000000 0.000000 0.016584 O\n0.000000 0.000000 0.200164 F\n",
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{
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}