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{
"id": "jvasp-92292",
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"structure_string": "Li2 Ca1 N2\n1.0\n-1.722544 -2.984170 -0.000058\n-1.723096 2.984489 0.000000\n-0.000086 -0.000049 -5.778410\nLi Ca N\n2 1 2\ndirect\n0.333435 0.666718 0.885631 Li\n0.666566 0.333284 0.114370 Li\n0.000001 0.000001 0.500000 Ca\n0.333297 0.666649 0.243293 N\n0.666704 0.333352 0.756707 N\n",
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"structure_string": "Li4 P20\n1.0\n6.122341 0.000000 0.000000\n0.000000 8.060401 0.000000\n0.000000 0.000000 9.507010\nLi P\n4 20\ndirect\n0.236152 0.626653 0.635729 Li\n0.236152 0.873347 0.135729 Li\n0.736152 0.126653 0.864271 Li\n0.736152 0.373347 0.364271 Li\n0.567192 0.644985 0.446253 P\n0.780371 0.059582 0.393044 P\n0.792788 0.750298 0.606299 P\n0.567192 0.855014 0.946253 P\n0.780371 0.440418 0.893044 P\n0.792788 0.749702 0.106299 P\n0.643191 0.489313 0.111562 P\n0.643191 0.010687 0.611562 P\n0.598306 0.847572 0.290089 P\n0.280371 0.940417 0.606956 P\n0.098306 0.152428 0.709911 P\n0.292788 0.250298 0.893701 P\n0.067192 0.355014 0.553747 P\n0.292788 0.249702 0.393701 P\n0.067192 0.144985 0.053747 P\n0.280371 0.559582 0.106956 P\n0.143191 0.989313 0.388438 P\n0.143191 0.510687 0.888438 P\n0.598306 0.652428 0.790089 P\n0.098306 0.347572 0.209911 P\n",
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{
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"updated_at": "2022-09-04T14:36:54.215233Z",
"structure_string": "Fe2 N6 Cl2 O6\n1.0\n7.125111 -0.000000 -0.000000\n-3.562555 6.170527 -0.000000\n0.000000 0.000000 5.978822\nFe N Cl O\n2 6 2 6\ndirect\n0.333333 0.666667 0.788708 Fe\n0.666667 0.333333 0.288708 Fe\n0.793199 0.206801 0.183933 N\n0.586398 0.793200 0.683933 N\n0.206800 0.793200 0.683933 N\n0.413602 0.206801 0.183933 N\n0.793199 0.586398 0.183933 N\n0.206800 0.413602 0.683933 N\n0.333333 0.666667 0.164673 Cl\n0.666667 0.333333 0.664673 Cl\n0.864829 0.135171 0.056662 O\n0.135171 0.270341 0.556662 O\n0.135171 0.864829 0.556662 O\n0.270341 0.135171 0.056662 O\n0.729658 0.864829 0.556662 O\n0.864828 0.729659 0.056662 O\n",
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{
"id": "jvasp-62756",
"created_at": "2022-09-04T14:35:59.888124Z",
"updated_at": "2022-09-04T14:35:59.888146Z",
"structure_string": "B2 N2\n1.0\n1.256141 -2.175699 0.000000\n1.256139 2.175699 -0.000000\n-0.000000 -0.000000 6.583444\nB N\n2 2\ndirect\n0.666647 0.333293 0.250000 B\n0.333353 0.666708 0.749999 B\n0.666688 0.333375 0.749999 N\n0.333312 0.666625 0.250000 N\n",
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{
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"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
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{
"id": "jvasp-117680",
"created_at": "2022-09-04T14:38:47.140663Z",
"updated_at": "2022-09-04T14:38:47.140700Z",
"structure_string": "Be2 Cl2\n1.0\n2.927777 -0.000000 0.000000\n0.000000 2.927777 -0.000000\n-0.000000 0.000000 7.523695\nBe Cl\n2 2\ndirect\n0.000000 0.000000 0.865985 Be\n0.500001 0.500001 0.134013 Be\n0.000000 0.000000 0.299492 Cl\n0.500001 0.500001 0.700510 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.151358Z",
"updated_at": "2022-09-04T14:38:42.151375Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n",
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{
"id": "jvasp-100076",
"created_at": "2022-09-04T14:36:35.280886Z",
"updated_at": "2022-09-04T14:36:35.280906Z",
"structure_string": "K3 Ga1 Cl6\n1.0\n6.433627 0.000000 3.714456\n2.144542 6.065682 3.714456\n-0.000000 -0.000000 7.428913\nK Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.774071 0.225929 0.225930 Cl\n0.225929 0.225929 0.774071 Cl\n0.225929 0.774071 0.774071 Cl\n0.225929 0.774071 0.225930 Cl\n0.774071 0.225929 0.774071 Cl\n0.774071 0.774071 0.225930 Cl\n",
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"formula_full": "K3 Ga1 Cl6",
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{
"id": "jvasp-103869",
"created_at": "2022-09-04T14:36:40.533341Z",
"updated_at": "2022-09-04T14:36:40.533359Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.772925 -0.033913 0.642250\n1.116640 6.057171 1.354479\n-0.015159 0.180457 6.669512\nSn H C O\n1 10 6 4\ndirect\n0.012994 0.821168 0.692737 Sn\n0.783276 0.729501 0.381560 H\n0.988097 0.482602 0.522290 H\n0.242787 0.912793 0.003897 H\n0.861320 0.957810 0.046725 H\n0.164746 0.684511 0.338777 H\n0.817920 0.223979 0.259009 H\n0.591770 0.437786 0.351586 H\n0.208048 0.418340 0.126430 H\n0.434206 0.204538 0.033845 H\n0.037968 0.159706 0.863192 H\n0.043178 0.983296 0.932705 C\n0.982869 0.659013 0.452776 C\n0.470178 0.125480 0.467381 C\n0.555790 0.516848 0.918060 C\n0.591754 0.290663 0.290256 C\n0.434217 0.351658 0.095180 C\n0.786418 0.577528 0.938752 O\n0.600615 0.056474 0.632186 O\n0.239512 0.064840 0.446727 O\n0.425392 0.585823 0.753234 O\n",
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{
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"structure_string": "Ca1 C1 N2\n1.0\n3.474155 0.016571 4.148892\n1.519129 3.124464 4.148892\n0.026343 0.016571 5.411319\nCa C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 C\n0.417390 0.417388 0.417389 N\n0.582612 0.582610 0.582611 N\n",
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{
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"structure_string": "K1 Na2 Sc1 F6\n1.0\n5.458840 -0.000000 3.151662\n1.819613 5.146643 3.151662\n-0.000000 -0.000000 6.303324\nK Na Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.774237 0.225763 0.225763 F\n0.225763 0.225763 0.774236 F\n0.225763 0.774237 0.774236 F\n0.225763 0.774237 0.225763 F\n0.774237 0.225763 0.774236 F\n0.774237 0.774237 0.225763 F\n",
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{
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"created_at": "2022-09-04T14:38:34.863846Z",
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"structure_string": "Na3 Li3 C3 O9\n1.0\n4.136493 -7.164616 0.000000\n4.136493 7.164616 0.000000\n-0.000000 0.000000 3.303635\nNa Li C O\n3 3 3 9\ndirect\n0.964549 0.635145 0.499999 Na\n0.670596 0.035450 0.499999 Na\n0.364854 0.329403 0.499999 Na\n0.641102 0.700044 0.000000 Li\n0.299955 0.941058 0.000000 Li\n0.058942 0.358898 0.000000 Li\n0.666667 0.333333 0.000000 C\n0.333333 0.666667 0.499999 C\n0.000000 0.000000 0.000000 C\n0.842750 0.385242 0.000000 O\n0.498702 0.685633 0.499999 O\n0.542494 0.157249 0.000000 O\n0.036139 0.864415 0.000000 O\n0.314366 0.813069 0.499999 O\n0.186930 0.501297 0.499999 O\n0.135585 0.171724 0.000000 O\n0.614757 0.457506 0.000000 O\n0.828275 0.963860 0.000000 O\n",
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"formula_full": "Na3 Li3 C3 O9",
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]
}