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{
"id": "jvasp-9115",
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"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
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"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
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{
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"updated_at": "2022-09-04T14:38:11.830653Z",
"structure_string": "Li6 Fe4 O2 F10\n1.0\n5.088848 0.041801 -0.015513\n-1.633570 4.819771 -0.013455\n-1.701794 -2.396033 8.880943\nLi Fe O F\n6 4 2 10\ndirect\n0.791564 0.541550 0.083336 Li\n0.876908 0.126993 0.253693 Li\n0.541750 0.791497 0.583334 Li\n0.468273 0.218339 0.436935 Li\n0.114998 0.864945 0.729722 Li\n0.206587 0.456493 0.912970 Li\n0.291571 0.041522 0.083330 Fe\n0.041576 0.291715 0.583331 Fe\n0.364718 0.614853 0.229430 Fe\n0.718773 0.968606 0.937240 Fe\n0.544534 0.788895 0.083297 O\n0.038965 0.294527 0.083368 O\n0.118492 0.887752 0.254083 F\n0.800696 0.532595 0.583311 F\n0.635498 0.366361 0.253918 F\n0.676794 0.965778 0.418766 F\n0.367566 0.656444 0.747882 F\n0.241845 0.453020 0.418758 F\n0.282496 0.050849 0.583356 F\n0.445726 0.214812 0.912703 F\n0.880356 0.091417 0.747924 F\n0.966992 0.697698 0.912640 F\n",
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{
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"updated_at": "2022-09-04T14:38:11.837604Z",
"structure_string": "Li1 Fe3 O3 F4\n1.0\n4.030445 2.326979 2.100034\n-4.030445 2.326979 2.100034\n-0.000000 -4.653958 2.100034\nLi Fe O F\n1 3 3 4\ndirect\n0.926377 0.926377 0.926377 Li\n0.172638 0.529746 0.529746 Fe\n0.529745 0.529745 0.172638 Fe\n0.529746 0.172638 0.529746 Fe\n0.397955 0.767810 0.397955 O\n0.397955 0.397955 0.767810 O\n0.767810 0.397955 0.397955 O\n0.203320 0.828649 0.828649 F\n0.230078 0.230078 0.230078 F\n0.828649 0.828649 0.203320 F\n0.828649 0.203320 0.828649 F\n",
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"updated_at": "2022-09-04T14:38:11.837717Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.447865 -0.000243 -0.000163\n-1.723441 6.691006 -0.284412\n-1.723477 -1.884552 9.180529\nMg Bi O\n1 4 8\ndirect\n0.497591 0.201995 0.793044 Mg\n0.263186 0.641533 0.884719 Bi\n0.327790 0.207292 0.448161 Bi\n0.678699 0.797458 0.559805 Bi\n0.801214 0.428691 0.173612 Bi\n0.422824 0.526109 0.319421 O\n0.329865 0.885126 0.774469 O\n0.727235 0.165443 0.288887 O\n0.620090 0.497527 0.742518 O\n0.883181 0.731463 0.034797 O\n0.886229 0.133221 0.639109 O\n0.139021 0.340031 0.937876 O\n0.151195 0.874766 0.427478 O\n",
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{
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"created_at": "2022-09-04T14:38:11.841145Z",
"updated_at": "2022-09-04T14:38:11.841163Z",
"structure_string": "Er1 Sb1\n1.0\n3.756318 0.000000 2.168711\n1.252106 3.541490 2.168711\n-0.000000 0.000000 4.337423\nEr Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500001 0.500000 0.499999 Sb\n",
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{
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"created_at": "2022-09-04T14:38:11.844283Z",
"updated_at": "2022-09-04T14:38:11.844305Z",
"structure_string": "K1 Li6 Bi1 O6\n1.0\n5.362400 -0.002026 -1.091621\n-1.335840 5.193349 -1.091621\n-0.001571 -0.002026 5.472383\nK Li Bi O\n1 6 1 6\ndirect\n0.500000 0.499999 0.500000 K\n0.344970 -0.000001 0.655030 Li\n0.000000 0.655030 0.344970 Li\n0.344970 0.655030 0.000000 Li\n0.000000 0.344970 0.655030 Li\n0.655030 -0.000001 0.344970 Li\n0.655030 0.344970 0.000000 Li\n0.000000 0.000000 0.000000 Bi\n0.904605 0.281851 0.281852 O\n0.281852 0.904605 0.281852 O\n0.718148 0.718147 0.095394 O\n0.095394 0.718147 0.718148 O\n0.718148 0.095393 0.718148 O\n0.281852 0.281851 0.904605 O\n",
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"structure_string": "V2 N2 Cl8\n1.0\n5.908637 0.172743 -0.017710\n-2.730131 6.447724 -0.044311\n-0.660690 -2.854916 7.054673\nV N Cl\n2 2 8\ndirect\n0.266744 0.498568 0.154123 V\n0.733255 0.501431 0.845877 V\n0.908257 0.652956 0.741255 N\n0.091743 0.347042 0.258745 N\n0.901943 0.195365 0.343573 Cl\n0.098057 0.804634 0.656427 Cl\n0.445178 0.234489 0.590387 Cl\n0.554821 0.765509 0.409613 Cl\n0.518583 0.711621 0.951130 Cl\n0.481417 0.288377 0.048870 Cl\n0.955200 0.274424 0.843601 Cl\n0.044800 0.725574 0.156399 Cl\n",
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{
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"structure_string": "Mn2 F8\n1.0\n-5.343144 -0.129415 -0.036884\n0.101269 -4.462255 0.952351\n2.608482 1.118756 4.679772\nMn F\n2 8\ndirect\n0.500516 -0.000289 0.001249 Mn\n0.000520 0.499717 0.001257 Mn\n0.176582 0.748289 0.853668 F\n0.656861 0.803856 0.314718 F\n0.824447 0.251136 0.148830 F\n0.324094 0.251432 0.148855 F\n0.344171 0.195588 0.687796 F\n-0.156416 0.298014 0.686568 F\n0.676949 0.748020 0.853640 F\n0.157442 0.701412 0.315953 F\n",
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"structure_string": "Ba2 Lu1 Cu3 O6\n1.0\n3.850593 0.000000 0.000000\n0.000000 3.850593 -0.000000\n-0.000000 0.000000 12.050048\nBa Lu Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.198758 Ba\n0.500000 0.500000 0.801243 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.372116 Cu\n0.000000 0.000000 0.627884 Cu\n0.500000 0.000000 0.614643 O\n0.000000 0.500000 0.614643 O\n0.500000 0.000000 0.385358 O\n0.000000 0.500000 0.385358 O\n0.000000 0.000000 0.150444 O\n0.000000 0.000000 0.849557 O\n",
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"structure_string": "Li1 Ti3 O4\n1.0\n2.977186 0.000585 0.001007\n-0.001322 5.147411 -0.067514\n-0.000937 -1.641938 4.879015\nLi Ti O\n1 3 4\ndirect\n0.499865 -0.003497 0.503347 Li\n0.499845 0.482533 0.017263 Ti\n-0.000090 0.027565 0.004676 Ti\n-0.000102 0.495133 0.472227 Ti\n-0.000143 0.756275 0.238765 O\n0.499908 0.227495 0.272307 O\n-0.000134 0.261031 0.743525 O\n0.499882 0.752977 0.746824 O\n",
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}