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"structure_string": "H3 C6 S2 N1 O1\n1.0\n3.727682 0.028704 0.030479\n0.354214 5.288701 1.636983\n0.051932 0.022215 7.520348\nH C S N O\n3 6 2 1 1\ndirect\n0.765834 0.820538 0.675195 H\n0.783062 0.823007 0.330852 H\n0.257066 0.216738 0.006301 H\n0.891626 0.668515 0.628708 C\n0.901689 0.668270 0.443225 C\n0.076983 0.450741 0.417065 C\n0.062949 0.449394 0.748792 C\n0.001259 0.512923 0.061462 C\n0.152137 0.366872 0.255414 C\n0.744261 0.781010 0.011365 S\n0.234532 0.241954 0.629830 S\n0.109478 0.383433 0.939227 N\n0.346193 0.167601 0.269451 O\n",
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"updated_at": "2022-09-04T14:38:34.271140Z",
"structure_string": "Li2 P2 W1 O8\n1.0\n2.460147 -4.261098 0.000000\n2.460147 4.261098 0.000000\n-0.000000 -0.000000 7.209092\nLi P W O\n2 2 1 8\ndirect\n0.666668 0.333334 0.297002 Li\n0.333334 0.666668 0.702998 Li\n0.666668 0.333334 0.752513 P\n0.333334 0.666668 0.247487 P\n0.000000 0.000000 0.000000 W\n0.953992 0.641652 0.833046 O\n0.666668 0.333334 0.547454 O\n0.687662 0.046010 0.833046 O\n0.358350 0.312339 0.833046 O\n0.641652 0.687662 0.166954 O\n0.312339 0.953992 0.166954 O\n0.333334 0.666668 0.452545 O\n0.046010 0.358349 0.166954 O\n",
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"structure_string": "Ba2 Sr1 P2 O8\n1.0\n5.182405 -0.006301 5.635484\n2.193079 4.695504 5.635484\n-0.009911 -0.006301 7.656102\nBa Sr P O\n2 1 2 8\ndirect\n0.206747 0.206747 0.206747 Ba\n0.793252 0.793252 0.793252 Ba\n0.000000 0.000000 0.000000 Sr\n0.403578 0.403578 0.403578 P\n0.596421 0.596421 0.596421 P\n0.276295 0.734287 0.276294 O\n0.276295 0.276295 0.734287 O\n0.734287 0.276295 0.276294 O\n0.723705 0.265713 0.723705 O\n0.723705 0.723705 0.265712 O\n0.265713 0.723705 0.723705 O\n0.329850 0.329850 0.329850 O\n0.670149 0.670150 0.670149 O\n",
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"created_at": "2022-09-04T14:38:34.263622Z",
"updated_at": "2022-09-04T14:38:34.263659Z",
"structure_string": "La3 Al4 Si6\n1.0\n4.217381 0.000000 0.000000\n-2.108690 3.652359 0.000000\n0.000000 -0.000000 18.460697\nLa Al Si\n3 4 6\ndirect\n0.000000 0.000000 0.113284 La\n0.000000 0.000000 0.886716 La\n0.000000 0.000000 0.500000 La\n0.333333 0.666667 0.743265 Al\n0.666667 0.333333 0.256735 Al\n0.333333 0.666667 0.360462 Al\n0.666667 0.333333 0.639538 Al\n0.333333 0.666667 0.604262 Si\n0.666667 0.333333 0.395738 Si\n0.333333 0.666667 0.996056 Si\n0.666667 0.333333 0.003944 Si\n0.333333 0.666667 0.221768 Si\n0.666667 0.333333 0.778232 Si\n",
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{
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"structure_string": "Lu1 Al8 Cu4\n1.0\n6.639245 0.018483 -0.967702\n-4.963721 4.409240 -0.967702\n-0.006994 -0.018483 6.709395\nLu Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.346814 0.346813 Al\n0.000001 0.653187 0.653187 Al\n0.653188 -0.000000 0.653187 Al\n0.346814 -0.000000 0.346813 Al\n0.500001 0.282516 0.782516 Al\n0.500000 0.717484 0.217484 Al\n0.717485 0.500000 0.217484 Al\n0.282517 0.500000 0.782516 Al\n0.000001 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
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"structure_string": "Zn2 Sb3 O8\n1.0\n5.136322 -0.388936 -2.326244\n-0.979502 5.821537 -3.136063\n-0.885955 -0.376276 6.702544\nZn Sb O\n2 3 8\ndirect\n0.693736 0.668688 0.337376 Zn\n0.306263 0.331312 0.662624 Zn\n0.500000 0.999999 0.000001 Sb\n0.000000 0.733311 0.000001 Sb\n0.000000 0.266690 0.000000 Sb\n0.000797 0.381816 0.763633 O\n0.999201 0.618182 0.236367 O\n0.980703 0.882711 0.765423 O\n0.019296 0.117287 0.234577 O\n0.445763 0.365932 0.217409 O\n0.445763 0.851476 0.217409 O\n0.554236 0.148522 0.782589 O\n0.554236 0.634066 0.782590 O\n",
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