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{
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{
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"structure_string": "Cu2 Si2 H16 O8 F12\n1.0\n6.566126 0.069512 0.000000\n-2.169442 5.883782 0.000000\n0.000000 0.000000 9.311457\nCu Si H O F\n2 2 16 8 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 -0.000000 0.500000 Si\n0.245001 0.295121 0.599394 H\n0.245001 0.795121 0.900607 H\n0.755000 0.704878 0.400606 H\n0.319739 0.558546 0.654307 H\n0.680261 0.941453 0.154306 H\n0.680261 0.441453 0.345694 H\n0.319739 0.058546 0.845694 H\n0.755000 0.204878 0.099394 H\n0.964077 0.213252 0.288645 H\n0.964077 0.713252 0.211355 H\n0.035924 0.786747 0.711356 H\n0.201664 0.894149 0.213662 H\n0.798336 0.605850 0.713662 H\n0.798336 0.105850 0.786339 H\n0.201664 0.394149 0.286339 H\n0.035923 0.286747 0.788645 H\n0.192536 0.418670 0.636097 O\n0.807464 0.081329 0.136097 O\n0.192536 0.918670 0.863903 O\n0.807464 0.581329 0.363903 O\n0.919821 0.684117 0.649726 O\n0.919821 0.184117 0.850274 O\n0.080180 0.315882 0.350274 O\n0.080180 0.815882 0.149726 O\n0.686415 0.213889 0.593165 F\n0.707092 0.930111 0.424075 F\n0.292908 0.569888 0.924075 F\n0.292908 0.069888 0.575925 F\n0.707092 0.430111 0.075925 F\n0.509912 0.181114 0.358706 F\n0.490088 0.318885 0.858706 F\n0.490088 0.818885 0.641295 F\n0.509912 0.681114 0.141294 F\n0.313586 0.786110 0.406835 F\n0.686415 0.713889 0.906835 F\n0.313586 0.286110 0.093165 F\n",
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{
"id": "jvasp-33740",
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"updated_at": "2022-09-04T14:38:01.174800Z",
"structure_string": "Sn2 H20 Cl8 O10\n1.0\n6.197766 4.856061 -0.066146\n-6.197766 4.856061 0.066146\n-2.179236 0.000000 8.304115\nSn H Cl O\n2 20 8 10\ndirect\n0.743245 0.743246 0.750000 Sn\n0.256754 0.256754 0.250000 Sn\n0.869167 0.428659 0.249611 H\n0.571341 0.130833 0.749611 H\n0.614441 0.382848 0.335928 H\n0.531871 0.306162 0.513986 H\n0.398088 0.210041 0.721507 H\n0.617152 0.385559 0.835929 H\n0.908101 0.843184 0.342078 H\n0.843184 0.908101 0.157922 H\n0.693838 0.468129 0.013985 H\n0.789959 0.601912 0.221507 H\n0.156816 0.091899 0.842078 H\n0.091899 0.156817 0.657922 H\n0.382848 0.614441 0.164072 H\n0.601912 0.789959 0.278493 H\n0.468129 0.693838 0.486015 H\n0.385559 0.617152 0.664072 H\n0.210040 0.398088 0.778493 H\n0.428659 0.869167 0.250390 H\n0.130833 0.571341 0.750390 H\n0.306162 0.531871 0.986015 H\n0.978110 0.209387 0.061675 Cl\n0.790612 0.021890 0.561675 Cl\n0.413671 0.132296 0.098123 Cl\n0.867704 0.586329 0.598123 Cl\n0.132296 0.413671 0.401878 Cl\n0.209387 0.978110 0.438325 Cl\n0.021890 0.790613 0.938326 Cl\n0.586329 0.867704 0.901878 Cl\n0.527107 0.242117 0.710134 O\n0.242117 0.527107 0.789867 O\n0.472893 0.757883 0.289867 O\n0.492646 0.654375 0.607268 O\n0.185437 0.185438 0.750000 O\n0.345625 0.507354 0.107268 O\n0.654374 0.492646 0.892733 O\n0.814562 0.814562 0.250000 O\n0.507354 0.345625 0.392733 O\n0.757883 0.472893 0.210133 O\n",
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{
"id": "jvasp-22782",
"created_at": "2022-09-04T14:37:53.012721Z",
"updated_at": "2022-09-04T14:37:53.012751Z",
"structure_string": "Ba8 Li2 Ta6 O24\n1.0\n2.919456 -5.056647 0.000000\n2.919456 5.056647 -0.000000\n-0.000000 0.000000 19.255327\nBa Li Ta O\n8 2 6 24\ndirect\n0.000000 0.000000 0.002983 Ba\n0.000000 0.000000 0.502984 Ba\n0.333334 0.666668 0.144349 Ba\n0.666668 0.333334 0.644349 Ba\n0.333334 0.666668 0.369550 Ba\n0.666668 0.333334 0.869551 Ba\n0.666668 0.333334 0.247625 Ba\n0.333334 0.666668 0.747625 Ba\n0.000000 0.000000 0.165157 Li\n0.000000 0.000000 0.665158 Li\n0.666668 0.333334 0.439409 Ta\n0.333334 0.666668 0.939409 Ta\n0.666668 0.333334 0.066207 Ta\n0.000000 0.000000 0.809400 Ta\n0.000000 0.000000 0.309400 Ta\n0.333334 0.666668 0.566207 Ta\n0.159521 0.840480 0.257357 O\n0.653944 0.826973 0.618477 O\n0.826973 0.173028 0.118477 O\n0.501118 0.498883 0.497009 O\n0.002235 0.501118 0.997009 O\n0.498883 0.997766 0.997009 O\n0.501118 0.002235 0.497009 O\n0.997766 0.498883 0.497009 O\n0.498883 0.501118 0.997009 O\n0.319040 0.159521 0.757357 O\n0.346057 0.173028 0.118477 O\n0.840480 0.159521 0.757357 O\n0.830866 0.169135 0.378929 O\n0.661731 0.830867 0.878929 O\n0.169135 0.338270 0.878929 O\n0.830867 0.661731 0.378929 O\n0.338270 0.169135 0.378929 O\n0.169135 0.830866 0.878929 O\n0.173028 0.346057 0.618477 O\n0.680961 0.840481 0.257357 O\n0.159521 0.319040 0.257357 O\n0.840481 0.680961 0.757357 O\n0.173028 0.826973 0.618477 O\n0.826973 0.653944 0.118477 O\n",
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{
"id": "jvasp-20270",
"created_at": "2022-09-04T14:37:59.355450Z",
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"structure_string": "Mg24 As16\n1.0\n10.140058 -0.000000 -3.585052\n-5.070028 8.781548 -3.585052\n0.000000 0.000000 10.755155\nMg As\n24 16\ndirect\n0.024415 0.492705 0.758841 Mg\n0.531710 0.524416 0.765576 Mg\n0.241160 0.975585 0.507295 Mg\n0.734425 0.258840 0.766137 Mg\n0.968290 0.733864 0.992706 Mg\n0.258840 0.766136 0.734425 Mg\n0.992705 0.968290 0.733865 Mg\n0.524415 0.765575 0.531711 Mg\n0.765575 0.531710 0.524416 Mg\n0.733864 0.992706 0.968291 Mg\n0.766136 0.734425 0.258841 Mg\n0.975585 0.507295 0.241160 Mg\n0.507295 0.241160 0.975585 Mg\n0.007295 0.031710 0.266136 Mg\n0.475585 0.234425 0.468290 Mg\n0.233864 0.265575 0.741160 Mg\n0.266136 0.007295 0.031710 Mg\n0.468290 0.475585 0.234425 Mg\n0.234425 0.468290 0.475585 Mg\n0.265575 0.741160 0.233864 Mg\n0.031710 0.266136 0.007295 Mg\n0.492705 0.758840 0.024416 Mg\n0.741160 0.233864 0.265575 Mg\n0.758840 0.024415 0.492706 Mg\n0.500000 0.000000 0.000000 As\n0.227894 0.977894 0.250000 As\n-0.000000 0.500000 0.000000 As\n0.250000 0.227894 0.977895 As\n0.272106 0.522106 0.750001 As\n0.522106 0.750000 0.272106 As\n0.977894 0.250000 0.227894 As\n0.772106 0.022106 0.750001 As\n0.750000 0.772106 0.022106 As\n0.727894 0.477894 0.250000 As\n0.477894 0.250000 0.727895 As\n0.022106 0.750000 0.772107 As\n0.250000 0.727894 0.477895 As\n-0.000000 -0.000000 0.500000 As\n0.750000 0.272106 0.522106 As\n0.500000 0.500000 0.500000 As\n",
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{
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"structure_string": "Ba12 Bi4 Cl12 O12\n1.0\n7.089871 0.000000 0.000000\n-0.000000 12.163112 0.000000\n0.000000 0.000000 12.084775\nBa Bi Cl O\n12 4 12 12\ndirect\n0.173696 0.068899 0.888523 Ba\n0.847769 0.750000 0.472815 Ba\n0.152231 0.250000 0.527184 Ba\n0.826304 0.931101 0.111477 Ba\n0.326304 0.568899 0.388523 Ba\n0.826304 0.568899 0.111477 Ba\n0.673696 0.431101 0.611476 Ba\n0.326304 0.931101 0.388523 Ba\n0.173696 0.431101 0.888523 Ba\n0.673696 0.068899 0.611476 Ba\n0.652231 0.250000 0.972815 Ba\n0.347769 0.750000 0.027185 Ba\n0.098190 0.250000 0.131818 Bi\n0.598190 0.250000 0.368182 Bi\n0.901810 0.750000 0.868182 Bi\n0.401810 0.750000 0.631818 Bi\n0.387370 0.495623 0.135746 Cl\n0.112630 0.995623 0.635745 Cl\n0.418495 0.250000 0.734062 Cl\n0.887370 0.495623 0.364254 Cl\n0.612630 0.504377 0.864254 Cl\n0.387370 0.004377 0.135746 Cl\n0.581505 0.750000 0.265938 Cl\n0.612630 0.995623 0.864254 Cl\n0.112630 0.504377 0.635745 Cl\n0.081505 0.750000 0.234062 Cl\n0.887370 0.004377 0.364254 Cl\n0.918495 0.250000 0.765938 Cl\n0.429528 0.126981 0.444463 O\n0.570472 0.873019 0.555536 O\n0.929528 0.373019 0.055537 O\n0.788980 0.250000 0.501243 O\n0.288980 0.250000 0.998757 O\n0.570472 0.626981 0.555536 O\n0.929528 0.126981 0.055537 O\n0.429528 0.373019 0.444463 O\n0.070472 0.873019 0.944463 O\n0.211020 0.750000 0.498757 O\n0.711020 0.750000 0.001243 O\n0.070472 0.626981 0.944463 O\n",
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{
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"structure_string": "K8 Nb4 F28\n1.0\n0.000000 5.801227 -0.014159\n12.730041 0.000000 0.000000\n0.000000 -0.022170 -8.530491\nK Nb F\n8 4 28\ndirect\n0.763650 0.781937 0.944094 K\n0.236351 0.281937 0.555906 K\n0.236351 0.218063 0.055906 K\n0.763650 0.718063 0.444094 K\n0.237180 0.939813 0.679415 K\n0.762820 0.439813 0.820585 K\n0.762820 0.060187 0.320585 K\n0.237180 0.560187 0.179415 K\n0.274656 0.872285 0.219787 Nb\n0.725344 0.372285 0.280213 Nb\n0.274656 0.627715 0.719787 Nb\n0.725344 0.127715 0.780213 Nb\n0.533622 0.258478 0.794262 F\n0.041880 0.744326 0.696539 F\n0.466378 0.741522 0.205738 F\n0.533622 0.241522 0.294262 F\n0.466378 0.758478 0.705738 F\n0.529026 0.390513 0.088759 F\n0.958912 0.393198 0.108846 F\n0.958912 0.106802 0.608846 F\n0.041088 0.606802 0.891154 F\n0.470975 0.890512 0.411241 F\n0.958121 0.244326 0.803461 F\n0.041088 0.893198 0.391155 F\n0.958121 0.255674 0.303461 F\n0.189278 0.878282 0.995898 F\n0.213235 0.025583 0.212853 F\n0.786765 0.525583 0.287147 F\n0.786765 0.974417 0.787147 F\n0.213235 0.474417 0.712853 F\n0.529026 0.109487 0.588759 F\n0.810723 0.378282 0.504102 F\n0.810723 0.121718 0.004102 F\n0.189278 0.621718 0.495898 F\n0.570652 0.923976 0.127725 F\n0.429348 0.423976 0.372275 F\n0.429348 0.076024 0.872275 F\n0.570653 0.576024 0.627725 F\n0.041880 0.755674 0.196539 F\n0.470975 0.609487 0.911241 F\n",
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