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{
"id": "jvasp-9425",
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"structure_string": "Mg2 Sb4 O12\n1.0\n4.708545 0.000000 0.000000\n-0.000000 4.708545 0.000000\n0.000000 0.000000 9.386642\nMg Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832489 Sb\n0.000000 0.000000 0.332490 Sb\n0.500000 0.500000 0.167510 Sb\n0.000000 0.000000 0.667510 Sb\n0.691023 0.691023 0.000000 O\n0.808976 0.191023 0.500000 O\n0.191023 0.808976 0.500000 O\n0.308976 0.308976 0.000000 O\n0.802674 0.197325 0.829219 O\n0.697324 0.697324 0.329219 O\n0.197325 0.802674 0.170781 O\n0.302675 0.302675 0.329219 O\n0.302675 0.302675 0.670781 O\n0.697324 0.697324 0.670781 O\n0.802674 0.197325 0.170781 O\n0.197325 0.802674 0.829219 O\n",
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{
"id": "jvasp-107174",
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"structure_string": "Cu1 Pb1 O3\n1.0\n3.866438 -0.000000 0.000000\n0.000000 3.866438 0.000000\n-0.000000 -0.000000 3.866438\nCu Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
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{
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"structure_string": "Mg2 Cu4 O8\n1.0\n4.852598 0.000000 -2.547676\n-1.337562 4.664615 -2.547676\n0.374012 0.496331 6.607634\nMg Cu O\n2 4 8\ndirect\n0.375000 0.624999 0.749999 Mg\n0.625000 0.375000 0.249999 Mg\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.746593 0.770048 0.493182 O\n0.776868 0.253408 0.006816 O\n0.229951 0.253408 0.006816 O\n0.253408 0.229951 0.506816 O\n0.253408 0.776867 0.506815 O\n0.223132 0.746591 0.993182 O\n0.746592 0.223132 0.493183 O\n0.770049 0.746591 0.993182 O\n",
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{
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"created_at": "2022-09-04T14:38:13.162776Z",
"updated_at": "2022-09-04T14:38:13.162807Z",
"structure_string": "Ta4 H8 O14\n1.0\n5.106926 5.390276 0.000000\n-0.000000 5.390276 5.458816\n5.106926 -0.000000 5.458816\nTa H O\n4 8 14\ndirect\n0.500000 -0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.214514 0.214514 0.035486 H\n0.035486 0.035486 0.214514 H\n0.964515 0.964515 0.785486 H\n0.785486 0.785486 0.964515 H\n0.930441 0.319560 0.930440 H\n0.680440 0.069560 0.680440 H\n0.069560 0.680440 0.069560 H\n0.319561 0.930440 0.319561 H\n0.800222 0.449779 0.449779 O\n0.416947 0.833054 0.416947 O\n0.833054 0.416947 0.833054 O\n0.443397 0.443397 0.806604 O\n0.806604 0.806603 0.443397 O\n0.449779 0.800222 0.800222 O\n0.550222 0.199779 0.199779 O\n0.166947 0.583054 0.166947 O\n0.556603 0.556603 0.193397 O\n0.193397 0.193397 0.556603 O\n0.199779 0.550222 0.550222 O\n0.875001 0.875000 0.875001 O\n0.583054 0.166947 0.583054 O\n0.125000 0.125000 0.125000 O\n",
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"structure_string": "Fe3 Ni1\n1.0\n2.848721 2.848721 0.000000\n2.848721 -0.000000 -2.848721\n0.000000 2.848721 -2.848721\nFe Ni\n3 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:06.872970Z",
"updated_at": "2022-09-04T14:37:06.872983Z",
"structure_string": "Ti4 O4 F4\n1.0\n0.000000 5.152820 -0.023470\n4.715846 0.000000 0.000000\n0.000000 -0.184049 -5.706878\nTi O F\n4 4 4\ndirect\n0.216146 0.514479 0.641813 Ti\n0.216146 0.985522 0.141813 Ti\n0.783854 0.014479 0.858187 Ti\n0.783854 0.485522 0.358187 Ti\n0.090445 0.763716 0.873008 O\n0.090445 0.736285 0.373008 O\n0.909555 0.263716 0.626993 O\n0.909555 0.236284 0.126993 O\n0.417068 0.231619 0.877277 F\n0.417068 0.268381 0.377276 F\n0.582932 0.731620 0.622724 F\n0.582932 0.768382 0.122724 F\n",
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{
"id": "jvasp-77079",
"created_at": "2022-09-04T14:37:08.714348Z",
"updated_at": "2022-09-04T14:37:08.714367Z",
"structure_string": "Be2 Ir1 Rh1\n1.0\n-9.286054 -0.543154 -2.244329\n-6.747970 0.186902 0.588942\n-5.111310 2.240896 -0.101525\nBe Ir Rh\n2 1 1\ndirect\n0.749806 0.000955 0.997776 Be\n0.250193 0.999044 0.002227 Be\n0.500000 -0.000001 0.000001 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:37:06.134410Z",
"updated_at": "2022-09-04T14:37:06.134436Z",
"structure_string": "Li4 Cu4 F12\n1.0\n0.000000 3.256619 -0.021623\n9.699901 0.000000 0.000000\n0.000000 -2.109764 -7.303570\nLi Cu F\n4 4 12\ndirect\n-0.008614 0.309274 0.016898 Li\n0.008614 0.809274 0.483102 Li\n-0.008613 0.190726 0.516897 Li\n0.008615 0.690725 0.983102 Li\n0.317454 0.997348 0.188657 Cu\n0.682546 0.497348 0.311343 Cu\n0.317455 0.502652 0.688657 Cu\n0.682547 0.002652 0.811343 Cu\n0.146421 0.381266 0.470618 F\n0.853580 0.881266 0.029381 F\n0.173220 0.902208 0.705986 F\n0.442782 0.638804 0.873880 F\n0.557219 0.361196 0.126119 F\n0.557220 0.138804 0.626119 F\n0.146421 0.118734 0.970618 F\n0.853580 0.618734 0.529381 F\n0.442781 0.861196 0.373880 F\n0.173219 0.597792 0.205986 F\n0.826781 0.097792 0.294014 F\n0.826782 0.402208 0.794014 F\n",
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{
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"structure_string": "U4 V4 N8\n1.0\n0.000000 5.474393 0.000126\n3.162965 0.000000 0.000000\n0.000000 -0.000666 -10.679750\nU V N\n4 4 8\ndirect\n0.422401 0.000000 0.643927 U\n0.922397 0.000000 0.856072 U\n0.577597 0.500001 0.356073 U\n0.077601 0.500001 0.143928 U\n0.426366 0.500001 0.903223 V\n0.073636 0.000000 0.403223 V\n0.926363 0.500001 0.596777 V\n0.573632 0.000000 0.096777 V\n0.166758 0.500001 0.754027 N\n0.333242 0.000000 0.254026 N\n0.242588 0.500001 0.493253 N\n0.833241 0.000000 0.245973 N\n0.666757 0.500001 0.745974 N\n0.757410 0.000000 0.506747 N\n0.257411 0.000000 0.993254 N\n0.742587 0.500001 0.006746 N\n",
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{
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"structure_string": "Mn1 Pb1 O3\n1.0\n3.866021 0.000000 0.000000\n0.000000 3.866021 0.000000\n0.000000 0.000000 3.866021\nMn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Be2 Ir1 Rh1\n1.0\n-9.093979 -0.330234 -2.945029\n-6.754007 0.527995 0.017401\n-4.968545 2.442912 -0.703146\nBe Ir Rh\n2 1 1\ndirect\n0.749804 1.000991 -0.002247 Be\n0.250197 -0.000995 1.002251 Be\n0.500001 -0.000003 1.000001 Ir\n1.000001 -0.000004 1.000002 Rh\n",
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}
]
}