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{
"id": "jvasp-72284",
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"structure_string": "K2 Be1 Tc1\n1.0\n-1.943274 1.943274 5.555597\n1.943274 -1.943274 5.555597\n1.943274 1.943274 -5.555597\nK Be Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Tc\n",
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{
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{
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"structure_string": "Y4 Cl6\n1.0\n3.759191 -0.000000 0.772243\n1.415000 7.170639 2.647723\n-0.004876 0.019940 9.559523\nY Cl\n4 6\ndirect\n0.137235 0.019504 0.706024 Y\n0.862763 0.980496 0.293975 Y\n0.410874 0.230769 0.947480 Y\n0.589125 0.769231 0.052519 Y\n0.950922 0.367316 0.730837 Cl\n0.049077 0.632684 0.269163 Cl\n0.770933 0.340767 0.117365 Cl\n0.229065 0.659233 0.882635 Cl\n0.342247 0.803734 0.511770 Cl\n0.657752 0.196266 0.488230 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:46.068938Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n4.323422 0.000013 -0.000004\n-0.000042 14.385734 0.000054\n0.000003 -0.000013 4.687462\nLi Co P O\n4 4 4 16\ndirect\n0.999998 0.249114 0.750001 Li\n0.000001 0.750885 0.249999 Li\n0.499999 0.250885 0.250000 Li\n0.500000 0.749114 0.750000 Li\n0.000001 0.054458 0.249998 Co\n-0.000000 0.945542 0.749999 Co\n0.499999 0.554458 0.249999 Co\n0.500000 0.445542 0.750000 Co\n0.500001 0.884697 0.249999 P\n0.499999 0.115303 0.750000 P\n0.000001 0.615303 0.749999 P\n-0.000001 0.384698 0.250000 P\n0.733181 0.947031 0.416746 O\n0.733179 0.052968 0.916746 O\n0.766818 0.447031 0.416747 O\n0.766819 0.552968 0.916746 O\n0.689681 0.826755 0.034309 O\n0.689678 0.173244 0.534311 O\n0.310320 0.826755 0.465690 O\n0.189680 0.673243 0.965690 O\n0.233180 0.552968 0.583253 O\n0.233180 0.447031 0.083253 O\n0.266819 0.947031 0.083252 O\n0.266819 0.052968 0.583254 O\n0.810319 0.326756 0.034310 O\n0.189679 0.326756 0.465691 O\n0.310319 0.173243 0.965691 O\n0.810321 0.673244 0.534310 O\n",
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{
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"created_at": "2022-09-04T14:35:51.180466Z",
"updated_at": "2022-09-04T14:35:51.180476Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n-4.411349 4.411349 -0.000000\n4.417062 0.005713 4.417062\n4.417062 4.417062 0.005713\nLi Mn O F\n2 4 2 6\ndirect\n0.501607 0.003213 0.501607 Li\n0.858042 0.716084 0.858042 Li\n0.503107 0.006212 0.990341 Mn\n0.144923 0.289847 0.144923 Mn\n0.503107 0.493447 0.503107 Mn\n0.990341 0.493447 0.503107 Mn\n0.729255 0.458511 0.729255 O\n0.273618 0.547236 0.273618 O\n0.736856 0.473712 0.250985 F\n0.736856 0.987840 0.736856 F\n0.250984 0.987840 0.736856 F\n0.741756 0.006529 0.264774 F\n0.264774 0.006529 0.264774 F\n0.264773 0.529547 0.741756 F\n",
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{
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"created_at": "2022-09-04T14:38:30.543416Z",
"updated_at": "2022-09-04T14:38:30.543436Z",
"structure_string": "Rb4 Ni2 P4\n1.0\n7.690783 -0.050058 0.000000\n-4.814663 5.997472 0.000000\n-0.000000 -0.000000 5.759157\nRb Ni P\n4 2 4\ndirect\n0.786740 0.213259 0.250000 Rb\n0.213260 0.786740 0.750000 Rb\n0.409696 0.590304 0.250000 Rb\n0.590304 0.409696 0.750000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.930877 0.736112 0.250000 P\n0.069123 0.263887 0.750000 P\n0.263887 0.069123 0.250000 P\n0.736112 0.930877 0.750000 P\n",
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{
"id": "jvasp-34381",
"created_at": "2022-09-04T14:38:14.010634Z",
"updated_at": "2022-09-04T14:38:14.010648Z",
"structure_string": "Na1 Zr2 Ni1 F11\n1.0\n5.291807 0.016576 2.012857\n1.011442 5.194274 2.012857\n-0.002169 -0.001792 7.803137\nNa Zr Ni F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.508209 0.508210 0.762596 Zr\n0.491791 0.491791 0.237406 Zr\n-0.000000 0.000000 0.500000 Ni\n0.817974 0.221401 0.684935 F\n0.778600 0.182027 0.315066 F\n0.182026 0.778599 0.315067 F\n0.221400 0.817974 0.684935 F\n0.500000 0.500000 0.500001 F\n0.326976 0.673023 0.000000 F\n0.673024 0.326977 0.000000 F\n0.243131 0.243132 0.348703 F\n0.756868 0.756869 0.651298 F\n0.267552 0.267552 0.890772 F\n0.732448 0.732448 0.109229 F\n",
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{
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"created_at": "2022-09-04T14:35:44.314190Z",
"updated_at": "2022-09-04T14:35:44.314219Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.915941 0.000000 0.000000\n0.000000 5.986967 0.000000\n0.000000 0.000000 10.480361\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.992674 0.750000 0.726331 Mg\n0.492674 0.250000 0.773669 Mg\n0.007326 0.250000 0.273669 Mg\n0.507326 0.750000 0.226331 Mg\n0.065553 0.750000 0.406794 As\n0.565553 0.250000 0.093206 As\n0.934447 0.250000 0.593206 As\n0.434447 0.750000 0.906794 As\n0.224218 0.970949 0.329571 O\n0.724218 0.029052 0.170429 O\n0.224218 0.529052 0.329571 O\n0.724218 0.470949 0.170429 O\n0.775781 0.029052 0.670429 O\n0.275781 0.970949 0.829571 O\n0.293211 0.750000 0.057012 O\n0.281429 0.250000 0.596295 O\n0.706789 0.250000 0.942987 O\n0.206789 0.750000 0.557012 O\n0.718571 0.750000 0.403705 O\n0.218571 0.250000 0.096295 O\n0.275781 0.529052 0.829571 O\n0.781429 0.750000 0.903705 O\n0.793211 0.250000 0.442987 O\n0.775781 0.470949 0.670429 O\n",
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{
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"structure_string": "Y2 Br6\n1.0\n4.787468 -8.292138 -0.000000\n4.787468 8.292138 0.000000\n-0.000000 -0.000000 3.751499\nY Br\n2 6\ndirect\n0.666667 0.333333 0.250000 Y\n0.333333 0.666667 0.750000 Y\n0.793638 0.587275 0.750000 Br\n0.793638 0.206363 0.750000 Br\n0.412725 0.206363 0.750000 Br\n0.206363 0.412725 0.250000 Br\n0.206363 0.793638 0.250000 Br\n0.587275 0.793638 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:37:20.222246Z",
"updated_at": "2022-09-04T14:37:20.222262Z",
"structure_string": "Mg2 Mn2 F8\n1.0\n5.051845 0.013404 -0.049373\n-0.013486 5.052157 -0.011589\n-2.465113 -2.519880 5.543233\nMg Mn F\n2 2 8\ndirect\n0.282960 0.279520 0.566146 Mg\n0.716509 0.713029 0.433208 Mg\n0.030686 0.527265 0.061545 Mn\n0.468824 -0.034634 -0.062194 Mn\n0.767294 0.351937 0.173697 F\n0.580363 0.017500 0.654014 F\n0.073425 0.629399 0.654054 F\n0.181367 0.228763 0.825668 F\n0.406273 0.814627 0.173692 F\n0.366636 0.415615 0.345319 F\n0.978510 0.922583 0.345334 F\n0.644043 0.589763 0.825666 F\n",
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{
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"structure_string": "Li6 Ni2 O4 F4\n1.0\n0.000000 4.933405 0.004296\n5.821709 0.000000 0.000000\n0.000000 -1.500879 -4.720289\nLi Ni O F\n6 2 4 4\ndirect\n0.250000 0.117486 0.500000 Li\n0.250000 0.634193 0.500000 Li\n0.250000 0.366627 -0.000000 Li\n0.750000 0.365807 0.499999 Li\n0.750000 0.882514 0.499999 Li\n0.750000 0.633373 -0.000001 Li\n0.250000 0.889540 -0.000000 Ni\n0.750000 0.110460 -0.000001 Ni\n0.013972 0.886636 0.229787 O\n0.486028 0.886636 0.770213 O\n0.513972 0.113364 0.229787 O\n0.986029 0.113364 0.770212 O\n-0.000946 0.618802 0.746783 F\n0.499054 0.381198 0.746782 F\n0.500947 0.618802 0.253217 F\n0.000946 0.381198 0.253217 F\n",
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{
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"created_at": "2022-09-04T14:36:48.349694Z",
"updated_at": "2022-09-04T14:36:48.349714Z",
"structure_string": "Sm1 H3 C3 O6\n1.0\n5.632428 -0.001978 -2.688223\n-4.261174 3.683293 -2.688223\n-0.000737 -0.001978 6.241057\nSm H C O\n1 3 3 6\ndirect\n0.836498 0.836497 0.836499 Sm\n0.987569 0.471528 0.471529 H\n0.471528 0.471528 0.987570 H\n0.471528 0.987569 0.471529 H\n0.228316 0.688903 0.228316 C\n0.688903 0.228316 0.228316 C\n0.228316 0.228316 0.688904 C\n0.501129 0.247533 0.247534 O\n0.951926 0.554052 0.951927 O\n0.951926 0.951925 0.554054 O\n0.247533 0.501129 0.247534 O\n0.247533 0.247533 0.501129 O\n0.554053 0.951925 0.951927 O\n",
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]
}