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{
"id": "jvasp-11031",
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"structure_string": "Ca2 Fe4 O8\n1.0\n2.926509 0.001814 0.002209\n1.458984 6.866941 -0.145194\n1.455620 2.486637 7.791117\nCa Fe O\n2 4 8\ndirect\n0.381097 0.086793 0.150834 Ca\n0.612913 0.947338 0.826790 Ca\n0.587353 0.625218 0.199985 Fe\n0.159711 0.216916 0.463563 Fe\n0.842695 0.801743 0.512764 Fe\n0.406351 0.402947 0.784224 Fe\n0.839169 0.589022 0.732535 O\n0.438419 0.752135 0.370912 O\n0.562529 0.289539 0.585328 O\n0.149406 0.432014 0.269056 O\n0.066338 0.807692 0.059567 O\n0.769978 0.104757 0.355140 O\n0.933643 0.223844 0.908714 O\n0.217157 0.945657 0.619929 O\n",
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"structure_string": "Ca4 Fe4 O12\n1.0\n5.282564 0.000000 0.000000\n-0.000000 5.319242 0.000000\n0.000000 0.000000 7.481903\nCa Fe O\n4 4 12\ndirect\n0.993193 0.037837 0.250000 Ca\n0.493193 0.462163 0.750000 Ca\n0.506806 0.537837 0.250000 Ca\n0.006807 0.962163 0.750000 Ca\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.213339 0.213826 0.966542 O\n0.713339 0.286173 0.033457 O\n0.286661 0.713826 0.966542 O\n0.786660 0.786173 0.033457 O\n0.213339 0.213826 0.533457 O\n0.435818 0.990518 0.250000 O\n0.064182 0.490518 0.250000 O\n0.564182 0.009482 0.750000 O\n0.286661 0.713826 0.533457 O\n0.935817 0.509482 0.750000 O\n0.713339 0.286173 0.466543 O\n0.786660 0.786173 0.466543 O\n",
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{
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"structure_string": "Y1 Mn4 Al8\n1.0\n4.589385 0.000000 1.864333\n2.294693 6.218374 0.932166\n-0.045648 -0.000000 6.693328\nY Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.340795 0.659205 0.659206 Al\n-0.000000 0.340795 0.659206 Al\n-0.000000 0.659205 0.340796 Al\n0.659206 0.340795 0.340795 Al\n0.281091 0.218909 0.218910 Al\n0.500000 0.781090 0.218910 Al\n0.500000 0.218909 0.781091 Al\n0.718910 0.781090 0.781091 Al\n",
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{
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"created_at": "2022-09-04T14:37:47.006377Z",
"updated_at": "2022-09-04T14:37:47.006397Z",
"structure_string": "Li1 Tc1 O3\n1.0\n3.822471 -0.000000 -0.000000\n0.000000 3.822471 0.000000\n0.000000 0.000000 3.822471\nLi Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-14351",
"created_at": "2022-09-04T14:37:06.992977Z",
"updated_at": "2022-09-04T14:37:06.993003Z",
"structure_string": "Rb4 Te2 I12\n1.0\n7.945247 -0.000000 0.000000\n0.000000 7.945247 0.000000\n0.000000 -0.000000 12.262731\nRb Te I\n4 2 12\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.794685 0.686337 0.000000 I\n0.294685 0.813663 0.500000 I\n0.705316 0.186337 0.500000 I\n0.313663 0.794685 0.000000 I\n0.686337 0.205316 0.000000 I\n0.000000 0.000000 0.756447 I\n0.500000 0.500000 0.743553 I\n0.813663 0.705316 0.500000 I\n0.500000 0.500000 0.256447 I\n0.000000 0.000000 0.243552 I\n0.205316 0.313663 0.000000 I\n0.186337 0.294685 0.500000 I\n",
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{
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"structure_string": "Li1 Co3 O1 F5\n1.0\n4.380752 0.033304 2.475518\n-1.328147 4.717421 -2.551913\n-0.069701 0.057940 5.134928\nLi Co O F\n1 3 1 5\ndirect\n0.138673 0.434276 0.164944 Li\n0.364883 0.023582 0.346217 Co\n0.642375 0.957286 0.625657 Co\n0.829845 0.556294 0.874356 Co\n0.578432 0.760225 0.240891 O\n0.073661 0.255258 0.445306 F\n0.254897 0.765083 0.934934 F\n0.761882 0.243357 0.047005 F\n0.421331 0.266562 0.769623 F\n0.934015 0.738072 0.551074 F\n",
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"formula_full": "Li1 Co3 O1 F5",
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{
"id": "jvasp-91558",
"created_at": "2022-09-04T14:36:11.082161Z",
"updated_at": "2022-09-04T14:36:11.082191Z",
"structure_string": "Ca2 Fe2 O4\n1.0\n0.000000 -0.000000 3.185337\n5.415560 -0.000000 -0.000000\n-0.000000 5.415560 0.000000\nCa Fe O\n2 2 4\ndirect\n0.500007 0.500000 0.000000 Ca\n0.499994 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n-0.000052 0.749969 0.249969 O\n0.000052 0.750031 0.749969 O\n-0.000052 0.250031 0.750031 O\n0.000052 0.249969 0.250031 O\n",
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{
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"created_at": "2022-09-04T14:38:39.544270Z",
"updated_at": "2022-09-04T14:38:39.544286Z",
"structure_string": "Ca1 Ga1 O3\n1.0\n3.862389 -0.000000 -0.000000\n-0.000000 3.862389 -0.000000\n0.000000 0.000000 3.862389\nCa Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Ge4 Mo2 O12\n1.0\n5.527885 0.068072 1.313623\n1.550427 6.597447 0.725847\n0.185709 -0.050126 6.813222\nGe Mo O\n4 2 12\ndirect\n0.747359 0.388232 0.213943 Ge\n0.752643 0.786056 0.611768 Ge\n0.252643 0.611768 0.786056 Ge\n0.247358 0.213943 0.388232 Ge\n0.750001 0.905781 0.094219 Mo\n0.250001 0.094218 0.905781 Mo\n0.631683 0.958892 0.820395 O\n0.868319 0.179605 0.041107 O\n0.732037 0.626316 0.083304 O\n0.767966 0.916696 0.373685 O\n0.267965 0.373685 0.916695 O\n0.559287 0.613800 0.647398 O\n-0.059286 0.352601 0.386200 O\n0.131683 0.820395 0.958893 O\n0.059286 0.647398 0.613800 O\n0.440715 0.386199 0.352601 O\n0.232036 0.083304 0.626315 O\n0.368319 0.041107 0.179605 O\n",
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{
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{
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"structure_string": "Li3 Ti4 V1 O8\n1.0\n5.037187 -0.043247 2.848043\n1.685016 4.747193 2.848043\n-0.087763 -0.061413 5.880740\nLi Ti V O\n3 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 -0.000000 Li\n0.500001 0.499999 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.000001 0.500000 0.499999 Ti\n0.500001 -0.000000 0.499999 Ti\n0.500001 0.500000 0.499999 V\n0.749038 0.749036 0.757581 O\n0.251213 0.757615 0.241595 O\n0.747671 0.747669 0.259563 O\n0.242385 0.748788 0.758404 O\n0.757617 0.251212 0.241595 O\n0.252331 0.252330 0.740436 O\n0.748789 0.242384 0.758404 O\n0.250964 0.250964 0.242417 O\n",
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}