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{
"id": "jvasp-12554",
"created_at": "2022-09-04T14:38:12.381258Z",
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"structure_string": "Li4 H8 N4\n1.0\n4.519140 0.000000 -1.991410\n-0.877537 4.433120 -1.991410\n0.038559 0.046940 6.210887\nLi H N\n4 8 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.007721 0.507722 0.015443 Li\n0.492278 0.992278 0.984557 Li\n0.000000 0.000000 0.000000 Li\n0.704331 0.792634 0.249859 H\n0.542774 0.295668 0.750142 H\n0.207366 0.454473 0.750142 H\n0.545527 0.457226 0.249859 H\n0.963166 0.084099 0.384169 H\n0.421004 0.300070 0.384169 H\n0.915901 0.578996 0.615831 H\n0.699930 0.036834 0.615832 H\n0.348698 0.361342 0.232782 N\n0.128559 0.651302 0.767219 N\n0.638658 0.115915 0.767219 N\n0.884084 0.871441 0.232782 N\n",
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"formula_full": "Li4 B4 H60 C20 N4 O12",
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{
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"structure_string": "Na3 Mg1\n1.0\n5.031355 -0.000000 0.000000\n0.000000 5.031355 0.000000\n-0.000000 0.000000 5.031355\nNa Mg\n3 1\ndirect\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:47.502124Z",
"updated_at": "2022-09-04T14:36:47.502144Z",
"structure_string": "H14 C6 N2\n1.0\n4.619314 0.000677 -0.526384\n-0.001091 4.952853 -0.001313\n0.014019 0.000195 6.815354\nH C N\n14 6 2\ndirect\n0.934244 0.346482 0.290573 H\n0.471226 0.846535 0.805015 H\n0.761650 0.346593 0.948963 H\n0.672622 0.605580 0.536004 H\n0.003915 0.602107 0.691609 H\n0.003896 0.090936 0.691586 H\n0.434243 0.346540 0.790572 H\n0.672580 0.087336 0.536002 H\n0.261651 0.346526 0.448963 H\n0.172643 0.605517 0.036005 H\n0.172562 0.087272 0.036002 H\n0.503923 0.602044 0.191621 H\n0.503888 0.090873 0.191575 H\n0.971227 0.846468 0.305016 H\n0.266667 0.090702 0.192987 C\n0.266695 0.602202 0.193001 C\n0.172176 0.346481 0.292715 C\n0.766672 0.090765 0.692990 C\n0.766687 0.602265 0.692998 C\n0.672175 0.346544 0.792715 C\n0.690227 0.846546 0.797265 N\n0.190227 0.846484 0.297264 N\n",
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{
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"created_at": "2022-09-04T14:36:08.367376Z",
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"structure_string": "Na3 Ca1\n1.0\n5.302777 -0.000000 0.000000\n0.000000 5.302777 0.000000\n0.000000 0.000000 5.302777\nNa Ca\n3 1\ndirect\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Ca\n",
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{
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{
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"structure_string": "Re1 H1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.948532\nRe H O\n1 1 1\ndirect\n0.000000 0.000000 0.835447 Re\n0.000000 0.000000 0.220185 H\n0.000000 0.000000 0.010747 O\n",
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{
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{
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"structure_string": "Al1 H1 O1\n1.0\n4.779324 0.988332 0.000000\n-0.643031 2.990091 0.000000\n0.000000 0.000000 4.046909\nAl H O\n1 1 1\ndirect\n0.388954 0.167337 0.000000 Al\n0.066122 0.163366 0.000000 H\n0.544923 0.669296 0.000000 O\n",
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{
"id": "jvasp-94412",
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"structure_string": "Li3 Mg3\n1.0\n3.137154 -0.000000 -0.000000\n-1.568577 2.716854 -0.000000\n0.000000 -0.000000 15.109442\nLi Mg\n3 3\ndirect\n0.333331 0.666666 0.662571 Li\n0.000000 0.000000 0.500000 Li\n0.333331 0.666666 0.337429 Li\n0.333331 0.666666 0.000000 Mg\n0.000000 0.000000 0.825510 Mg\n0.000000 0.000000 0.174490 Mg\n",
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]
}