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{
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{
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"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.549103 -0.004429 -0.405882\n-2.279458 5.801389 -0.759527\n-0.017837 0.115704 8.311837\nCa H Cl O\n2 16 4 8\ndirect\n0.881626 0.004039 0.744583 Ca\n0.118372 0.995961 0.255417 Ca\n0.204282 0.754530 0.533171 H\n0.795716 0.245469 0.466829 H\n0.391632 0.761743 0.418199 H\n0.554393 0.242319 0.169737 H\n0.445605 0.757681 0.830263 H\n0.549856 0.408353 0.324359 H\n0.450142 0.591647 0.675641 H\n0.608367 0.238256 0.581801 H\n0.096089 0.684197 0.818929 H\n0.081177 0.460426 0.331652 H\n0.918821 0.539573 0.668348 H\n0.788809 0.647198 -0.001444 H\n0.211191 0.352802 0.001443 H\n0.672773 0.810383 0.067122 H\n0.327226 0.189616 0.932878 H\n0.903909 0.315803 0.181071 H\n0.738348 0.764965 0.407003 Cl\n0.261651 0.235034 0.592997 Cl\n0.291635 0.718513 0.048317 Cl\n0.708364 0.281487 0.951683 Cl\n0.765795 0.260109 0.582196 O\n0.186012 0.187243 0.969456 O\n0.813986 0.812757 0.030544 O\n0.019239 0.698837 0.716553 O\n0.980759 0.301162 0.283447 O\n0.514848 0.754164 0.728269 O\n0.485151 0.245835 0.271731 O\n0.234204 0.739890 0.417804 O\n",
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{
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"structure_string": "Ba3 Si6 N4 O9\n1.0\n3.654241 -6.329331 0.000000\n3.654241 6.329331 -0.000000\n0.000000 -0.000000 6.838524\nBa Si N O\n3 6 4 9\ndirect\n0.333333 0.666667 0.690989 Ba\n0.000000 0.000000 0.557118 Ba\n0.666667 0.333333 0.748311 Ba\n0.926992 0.378098 0.256657 Si\n0.213534 0.253143 0.043941 Si\n0.746857 0.960391 0.043941 Si\n0.039609 0.786466 0.043941 Si\n0.451106 0.073008 0.256657 Si\n0.621902 0.548894 0.256657 Si\n0.868854 0.575194 0.192895 N\n0.706339 0.131146 0.192895 N\n0.424806 0.293661 0.192895 N\n0.000000 0.000000 0.094666 N\n0.118718 0.411432 0.102669 O\n0.292714 0.881282 0.102669 O\n0.280068 0.287498 0.815846 O\n0.712501 0.992570 0.815846 O\n0.390838 0.013827 0.483586 O\n0.007430 0.719931 0.815846 O\n0.986173 0.377012 0.483586 O\n0.622987 0.609161 0.483586 O\n0.588568 0.707286 0.102669 O\n",
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"created_at": "2022-09-04T14:38:02.680565Z",
"updated_at": "2022-09-04T14:38:02.680574Z",
"structure_string": "Hf6 Al6 Pt6\n1.0\n3.551532 -6.151434 0.000000\n3.551532 6.151434 0.000000\n0.000000 0.000000 7.239342\nHf Al Pt\n6 6 6\ndirect\n0.412220 0.020233 0.750000 Hf\n0.391988 0.979767 0.250000 Hf\n0.608011 0.587780 0.750000 Hf\n0.020233 0.412220 0.250000 Hf\n0.587780 0.608011 0.250000 Hf\n0.979767 0.391988 0.750000 Hf\n0.740186 0.000000 0.500000 Al\n0.740186 0.000000 0.000000 Al\n0.000000 0.740186 0.500000 Al\n0.259813 0.259813 0.000000 Al\n0.259813 0.259813 0.500000 Al\n0.000000 0.740186 0.000000 Al\n0.333333 0.666667 0.526874 Pt\n0.666667 0.333333 0.473126 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.026874 Pt\n0.333333 0.666667 0.973126 Pt\n0.000000 0.000000 0.250000 Pt\n",
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{
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"structure_string": "Sr4 I4 O2\n1.0\n5.986932 -0.000055 -2.597146\n-1.471962 6.464081 -3.393045\n-0.009404 -0.000045 8.177395\nSr I O\n4 4 2\ndirect\n0.909749 0.583274 0.819504 Sr\n0.090252 0.416726 0.180497 Sr\n0.590244 0.763768 0.180491 Sr\n0.409757 0.236232 0.819510 Sr\n0.349501 0.701559 0.699004 I\n0.849499 0.997443 0.698999 I\n0.650500 0.298441 0.300997 I\n0.150502 0.002557 0.301002 I\n0.250003 0.500000 0.000000 O\n0.749997 0.499999 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:34.073713Z",
"updated_at": "2022-09-04T14:38:34.073734Z",
"structure_string": "Li12 Zr4 O14\n1.0\n5.996919 0.000000 0.000000\n-2.998460 5.144317 -0.929815\n0.000000 0.010409 10.250793\nLi Zr O\n12 4 14\ndirect\n0.415107 0.117200 0.583422 Li\n0.297908 0.882801 0.916578 Li\n0.584893 0.882801 0.416578 Li\n0.830306 0.864480 0.899331 Li\n0.165774 0.587873 0.103647 Li\n0.577902 0.412127 0.396353 Li\n0.834227 0.412127 0.896353 Li\n0.422099 0.587873 0.603647 Li\n0.034174 0.864480 0.399331 Li\n0.169695 0.135520 0.100670 Li\n0.965826 0.135521 0.600669 Li\n0.702093 0.117200 0.083423 Li\n0.938740 0.633816 0.636016 Zr\n0.304924 0.366185 0.863984 Zr\n0.061260 0.366185 0.363984 Zr\n0.695076 0.633816 0.136016 Zr\n0.645365 0.514189 0.759772 O\n0.833229 0.000000 0.250000 O\n0.166771 0.000000 0.750000 O\n0.762359 0.264953 0.502821 O\n0.497408 0.735048 0.997179 O\n0.237641 0.735048 0.497179 O\n0.502593 0.264952 0.002822 O\n0.002721 0.758592 0.022046 O\n0.244130 0.241409 0.477955 O\n0.997279 0.241409 0.977955 O\n0.755871 0.758592 0.522046 O\n0.354636 0.485812 0.240229 O\n0.868824 0.514189 0.259772 O\n0.131176 0.485812 0.740229 O\n",
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"structure_string": "K2 Na1 La1 Cl6\n1.0\n6.623097 -0.000000 3.823847\n2.207699 6.244316 3.823847\n-0.000000 -0.000000 7.647693\nK Na La Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.746145 0.253855 0.253855 Cl\n0.253855 0.253855 0.746145 Cl\n0.253855 0.746146 0.746145 Cl\n0.253855 0.746146 0.253855 Cl\n0.746145 0.253855 0.746145 Cl\n0.746145 0.746146 0.253855 Cl\n",
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"structure_string": "Sm6 Nb2 O14\n1.0\n5.383605 3.849147 0.000000\n-5.383605 3.849147 0.000000\n0.000000 0.000000 7.631358\nSm Nb O\n6 2 14\ndirect\n0.001237 0.462706 0.489994 Sm\n0.537295 0.998764 0.510006 Sm\n0.466746 0.466746 0.750000 Sm\n0.533255 0.533255 0.250000 Sm\n0.998764 0.537295 0.989994 Sm\n0.462706 0.001237 0.010006 Sm\n0.001857 0.001857 0.250000 Nb\n0.998144 0.998144 0.750000 Nb\n0.304632 0.050871 0.294282 O\n0.949130 0.695369 0.705718 O\n0.629450 0.370551 0.000000 O\n0.917955 0.673422 0.272364 O\n0.326579 0.082046 0.727636 O\n0.082046 0.326579 0.772364 O\n0.050871 0.304632 0.205718 O\n0.370551 0.629450 0.500000 O\n0.695369 0.949130 0.794282 O\n0.637511 0.362490 0.500000 O\n0.362490 0.637511 0.000000 O\n0.066671 0.933330 0.000000 O\n0.673422 0.917955 0.227636 O\n0.933330 0.066671 0.500000 O\n",
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"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.256999 -0.000015 0.000018\n-1.628512 2.820644 -0.000009\n0.000187 0.000020 34.422381\nMo W Se S\n1 3 4 4\ndirect\n0.333320 0.666624 0.091724 Mo\n0.333338 0.666670 0.472610 W\n0.666659 0.333322 0.285486 W\n0.666683 0.333380 0.653092 W\n0.333308 0.666643 0.335126 Se\n0.666642 0.333272 0.042432 Se\n0.666662 0.333305 0.141079 Se\n0.333347 0.666670 0.235833 Se\n0.333347 0.666726 0.698193 S\n0.666687 0.333352 0.427471 S\n0.666655 0.333316 0.517738 S\n0.333352 0.666704 0.607963 S\n",
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{
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{
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"created_at": "2022-09-04T14:38:44.437994Z",
"updated_at": "2022-09-04T14:38:44.438026Z",
"structure_string": "Mg1 Mo6 Se8\n1.0\n6.793690 -0.030954 -0.546471\n-0.633797 6.796093 -0.093130\n-0.049039 0.035337 6.853289\nMg Mo Se\n1 6 8\ndirect\n0.870994 0.085240 0.004179 Mg\n0.584819 0.448848 0.763108 Mo\n0.409578 0.552266 0.235558 Mo\n0.460375 0.763379 0.581082 Mo\n0.540904 0.237028 0.422187 Mo\n0.766390 0.590729 0.454855 Mo\n0.234141 0.410041 0.544514 Mo\n0.807569 0.774629 0.782089 Se\n0.203617 0.212964 0.217061 Se\n0.871995 0.262900 0.635580 Se\n0.131282 0.732290 0.365356 Se\n0.629088 0.884712 0.260641 Se\n0.373688 0.112924 0.736138 Se\n0.273418 0.612984 0.863954 Se\n0.726139 0.394070 0.134696 Se\n",
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}