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{
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{
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{
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"structure_string": "Cd1 H18 C11 O4\n1.0\n3.877107 -0.088910 -0.149382\n-1.049207 4.187528 -0.041365\n-0.426182 -0.059397 16.452567\nCd H C O\n1 18 11 4\ndirect\n0.636814 0.218872 0.142900 Cd\n0.562534 0.404951 0.486317 H\n0.575524 0.897323 0.407834 H\n0.628532 0.933132 0.888352 H\n0.897432 0.985896 0.712872 H\n0.446561 0.904985 0.735984 H\n0.714413 0.947433 0.560448 H\n0.263223 0.875458 0.582795 H\n0.109217 0.354514 0.504198 H\n0.083057 0.019633 0.867190 H\n0.150987 0.535259 0.941830 H\n0.689007 0.425607 0.959357 H\n0.956711 0.494469 0.787793 H\n0.504211 0.408174 0.809798 H\n0.760456 0.454823 0.635881 H\n0.309086 0.378029 0.658280 H\n0.306661 0.292611 0.346747 H\n0.906234 0.399980 0.336258 H\n0.126094 0.866606 0.426258 H\n0.005641 0.837161 0.028052 C\n0.919687 0.630389 0.950992 C\n0.844808 0.821113 0.876396 C\n0.740724 0.607862 0.799367 C\n0.659598 0.788603 0.723986 C\n0.318109 0.723879 0.417708 C\n0.472778 0.754052 0.571484 C\n0.361144 0.538394 0.495002 C\n0.198056 0.503614 0.342190 C\n0.314264 0.646533 0.261142 C\n0.548821 0.573593 0.647347 C\n0.267726 0.088497 0.028788 O\n0.211809 0.461165 0.196994 O\n0.520013 0.926973 0.259183 O\n0.809799 0.761184 0.088694 O\n",
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{
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"created_at": "2022-09-04T14:37:36.116225Z",
"updated_at": "2022-09-04T14:37:36.116244Z",
"structure_string": "Na6 S6\n1.0\n3.793023 -6.569709 0.000000\n3.793023 6.569709 0.000000\n0.000000 -0.000000 5.380857\nNa S\n6 6\ndirect\n0.309732 -0.000000 0.000000 Na\n0.690267 0.690267 0.000000 Na\n-0.000000 0.309732 0.000000 Na\n0.643188 -0.000000 0.500000 Na\n0.356812 0.356812 0.500000 Na\n-0.000000 0.643188 0.500000 Na\n0.000000 0.000000 0.300518 S\n0.000000 0.000000 0.699482 S\n0.333333 0.666667 0.201377 S\n0.333333 0.666667 0.798623 S\n0.666667 0.333333 0.798623 S\n0.666667 0.333333 0.201377 S\n",
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{
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"updated_at": "2022-09-04T14:36:39.153077Z",
"structure_string": "Mg2 Cl4\n1.0\n4.172238 1.145796 0.000000\n1.123610 4.178268 0.000000\n0.000000 0.000000 9.571442\nMg Cl\n2 4\ndirect\n0.049289 0.947759 0.250000 Mg\n0.052242 0.950711 0.750000 Mg\n0.381732 0.280288 0.250000 Cl\n0.050512 0.949489 0.500000 Cl\n0.050512 0.949489 0.000000 Cl\n0.719713 0.618269 0.750000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:41.987962Z",
"updated_at": "2022-09-04T14:37:41.987985Z",
"structure_string": "Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n",
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{
"id": "jvasp-115239",
"created_at": "2022-09-04T14:38:45.824062Z",
"updated_at": "2022-09-04T14:38:45.824104Z",
"structure_string": "Mg3 O1\n1.0\n4.247901 0.137842 1.300610\n4.028310 -3.046686 2.070410\n-0.412542 0.206328 -5.527445\nMg O\n3 1\ndirect\n-0.058753 0.153503 0.142152 Mg\n-0.029929 0.474601 0.810166 Mg\n0.947733 0.814661 0.465403 Mg\n0.711435 0.980429 0.806990 O\n",
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{
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"updated_at": "2022-09-04T14:38:54.192468Z",
"structure_string": "C2 Cl1\n1.0\n4.480023 0.000000 -0.193667\n0.000000 2.936503 0.000000\n-0.044872 0.000000 3.668440\nC Cl\n2 1\ndirect\n-0.451150 0.000000 0.228783 C\n-0.224385 0.000000 0.456681 C\n0.075536 0.000000 -0.285463 Cl\n",
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{
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"created_at": "2022-09-04T14:37:12.683048Z",
"updated_at": "2022-09-04T14:37:12.683072Z",
"structure_string": "K4 Na1 Cl5\n1.0\n7.401741 0.000644 -1.266628\n-5.265090 5.202365 -1.266628\n-0.000265 -0.000644 7.509335\nK Na Cl\n4 1 5\ndirect\n0.595269 0.200738 0.796007 K\n0.200738 0.404731 0.605469 K\n0.799262 0.595268 0.394531 K\n0.404731 0.799262 0.203993 K\n0.000000 0.000000 0.000000 Na\n0.716534 0.906455 0.622990 Cl\n0.283466 0.093544 0.377010 Cl\n0.906455 0.283465 0.189922 Cl\n0.499999 0.499999 -0.000001 Cl\n0.093544 0.716534 0.810078 Cl\n",
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"structure_string": "Li10 Fe2 S8\n1.0\n5.810400 0.000000 0.000000\n0.000000 7.752833 0.000000\n0.000000 0.000000 7.871649\nLi Fe S\n10 2 8\ndirect\n0.252848 0.744743 0.211902 Li\n0.747152 0.755256 0.288098 Li\n0.209395 0.500000 0.500000 Li\n0.747152 0.244743 0.711902 Li\n0.747152 0.755256 0.711902 Li\n0.747152 0.244743 0.288098 Li\n0.252848 0.744743 0.788098 Li\n0.790605 0.000000 0.000000 Li\n0.252848 0.255256 0.211902 Li\n0.252848 0.255256 0.788098 Li\n0.771350 0.500000 0.000000 Fe\n0.228650 0.000000 0.500000 Fe\n0.446098 0.244541 0.500000 S\n0.987384 0.500000 0.240573 S\n0.553901 0.744541 0.000000 S\n0.553901 0.255459 0.000000 S\n0.987384 0.500000 0.759428 S\n0.012616 0.000000 0.740573 S\n0.446098 0.755459 0.500000 S\n0.012616 0.000000 0.259428 S\n",
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"structure_string": "Sn1 H12 C7 O4\n1.0\n5.036731 0.064214 -0.153047\n-0.789998 6.229083 -0.617983\n-0.038330 0.130894 7.177848\nSn H C O\n1 12 7 4\ndirect\n0.869387 0.647669 0.643925 Sn\n0.850644 0.240430 0.490554 H\n0.029063 0.421676 0.343729 H\n0.089755 0.905528 0.934183 H\n0.957270 0.068515 0.767465 H\n0.265724 -0.042430 0.724859 H\n0.186565 0.351526 0.557101 H\n0.530118 0.422639 0.205808 H\n0.831954 0.135878 0.145523 H\n0.599987 0.000808 0.975983 H\n0.288645 0.889047 0.205432 H\n0.399228 0.103851 0.364488 H\n0.297288 0.298354 0.029956 H\n0.471597 0.989335 0.259063 C\n0.618129 0.105275 0.106896 C\n0.509654 0.318117 0.073956 C\n0.666005 0.437036 0.931566 C\n-0.001185 0.379808 0.486989 C\n0.070183 0.932938 0.786164 C\n0.639828 0.852740 0.366596 C\n0.526197 0.756410 0.503150 O\n0.535901 0.529258 0.806111 O\n0.917256 0.448026 0.928462 O\n0.881116 0.836397 0.337403 O\n",
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]
}