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{
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{
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"structure_string": "Ca4 Cr4 O12\n1.0\n5.283861 0.000000 0.000000\n0.000000 5.357856 0.000000\n0.000000 0.000000 7.492006\nCa Cr O\n4 4 12\ndirect\n0.008274 0.041803 0.750000 Ca\n0.508274 0.458198 0.250000 Ca\n0.491726 0.541803 0.750000 Ca\n0.991726 0.958198 0.250000 Ca\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.790786 0.210071 0.037705 O\n0.290786 0.289929 0.962295 O\n0.709214 0.710071 0.037705 O\n0.209214 0.789930 0.962295 O\n0.790786 0.210071 0.462295 O\n0.572165 0.986024 0.750000 O\n0.927835 0.486024 0.750000 O\n0.427835 0.013976 0.250000 O\n0.709214 0.710071 0.462295 O\n0.072165 0.513977 0.250000 O\n0.290786 0.289929 0.537705 O\n0.209214 0.789930 0.537705 O\n",
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{
"id": "jvasp-68524",
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"structure_string": "Li1 Be1 Ni1\n1.0\n1.235933 -2.140700 0.000000\n1.235933 2.140700 -0.000000\n0.000000 0.000000 6.012475\nLi Be Ni\n1 1 1\ndirect\n0.333332 0.666666 0.661892 Li\n0.000000 0.000000 0.023350 Be\n0.666666 0.333332 0.314759 Ni\n",
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{
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"created_at": "2022-09-04T14:38:00.806762Z",
"updated_at": "2022-09-04T14:38:00.806783Z",
"structure_string": "Na2 Li1 N1 F6\n1.0\n-0.000000 3.756901 3.756901\n3.756901 -0.000000 3.756901\n3.756901 3.756901 0.000000\nNa Li N F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 N\n0.241253 0.758747 0.758747 F\n0.241253 0.758747 0.241253 F\n0.758747 0.241253 0.758747 F\n0.758747 0.758747 0.241253 F\n0.241253 0.241253 0.758747 F\n0.758747 0.241253 0.241253 F\n",
"nsites": 10,
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{
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"structure_string": "Yb2 Co2 O5\n1.0\n3.691140 0.000000 0.000000\n0.000000 3.691140 -0.000000\n0.000000 -0.000000 7.005547\nYb Co O\n2 2 5\ndirect\n0.000000 0.000000 0.999986 Yb\n0.000000 0.000000 0.499844 Yb\n0.500000 0.500000 0.231661 Co\n0.500000 0.500000 0.768331 Co\n0.500000 0.000000 0.211972 O\n0.500000 0.000000 0.788111 O\n0.000000 0.500000 0.211972 O\n0.000000 0.500000 0.788111 O\n0.500000 0.500000 0.500007 O\n",
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{
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"updated_at": "2022-09-04T14:38:00.462419Z",
"structure_string": "Li8 V2 F12\n1.0\n0.000000 5.154006 0.676586\n8.865174 0.000000 0.000000\n0.000000 -2.467329 -5.430313\nLi V F\n8 2 12\ndirect\n0.244076 0.834191 0.895486 Li\n0.744076 0.665808 0.895486 Li\n0.069998 0.159912 0.593946 Li\n0.569998 0.340088 0.593946 Li\n0.430002 0.659912 0.406053 Li\n0.930002 0.840087 0.406053 Li\n0.255924 0.334191 0.104513 Li\n0.755924 0.165809 0.104513 Li\n0.500000 0.000000 0.499999 V\n-0.000000 0.500000 0.500000 V\n0.547159 0.176506 0.287974 F\n0.002361 0.668703 0.253217 F\n0.029058 0.013723 0.290249 F\n0.047159 0.323493 0.287975 F\n0.952841 0.676506 0.712024 F\n0.497639 0.168703 0.746782 F\n-0.002361 0.331297 0.746782 F\n0.452841 0.823493 0.712024 F\n0.470942 0.513723 0.709750 F\n0.529059 0.486277 0.290249 F\n0.970942 0.986276 0.709750 F\n0.502361 0.831297 0.253217 F\n",
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{
"id": "jvasp-116012",
"created_at": "2022-09-04T14:38:40.697832Z",
"updated_at": "2022-09-04T14:38:40.697856Z",
"structure_string": "Li1 Mn1 F4\n1.0\n3.137586 -3.276753 0.000000\n3.137586 3.276753 0.000000\n0.000000 0.000000 3.094690\nLi Mn F\n1 1 4\ndirect\n0.000000 0.000000 0.499999 Li\n0.500001 0.500001 0.000000 Mn\n0.791117 0.791117 0.000000 F\n0.697101 0.302902 0.499999 F\n0.208886 0.208886 0.000000 F\n0.302902 0.697101 0.499999 F\n",
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"spacegroup": 65
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{
"id": "jvasp-45691",
"created_at": "2022-09-04T14:36:34.844326Z",
"updated_at": "2022-09-04T14:36:34.844352Z",
"structure_string": "Pr2 Zn2 Fe4 O12\n1.0\n0.000000 5.241352 0.000073\n5.405718 0.000000 0.000000\n0.000000 -5.241010 -7.486720\nPr Zn Fe O\n2 2 4 12\ndirect\n0.759375 0.286187 0.749999 Pr\n0.759375 0.713813 0.249999 Pr\n0.230204 0.768138 0.749997 Zn\n0.230204 0.231862 0.249997 Zn\n0.001285 0.757927 0.001135 Fe\n0.499005 0.757928 0.498861 Fe\n0.001285 0.242074 0.501135 Fe\n0.499005 0.242072 -0.001139 Fe\n0.854296 0.454502 0.053523 O\n0.185549 0.988132 0.450173 O\n0.785198 0.988134 0.049822 O\n0.317599 0.227370 0.749995 O\n0.620252 0.260997 0.249998 O\n0.185549 0.011868 0.950173 O\n0.854296 0.545498 0.553523 O\n0.785198 0.011867 0.549822 O\n0.247245 0.454501 0.446472 O\n0.317599 0.772630 0.249995 O\n0.247245 0.545500 0.946472 O\n0.620252 0.739003 0.749998 O\n",
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{
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"created_at": "2022-09-04T14:36:17.267027Z",
"updated_at": "2022-09-04T14:36:17.267050Z",
"structure_string": "Mn16 O24\n1.0\n7.729958 0.000000 -2.732953\n-3.864980 6.694341 -2.732953\n-0.000000 -0.000000 8.198860\nMn O\n16 24\ndirect\n0.500000 0.500000 0.500000 Mn\n0.965466 0.250000 0.215466 Mn\n0.750000 0.284535 0.534535 Mn\n0.284535 0.534535 0.750000 Mn\n0.250000 0.215465 0.965466 Mn\n0.534535 0.750000 0.284535 Mn\n0.034535 0.750000 0.784535 Mn\n0.250000 0.715465 0.465466 Mn\n0.215465 0.965465 0.250000 Mn\n0.715465 0.465465 0.250000 Mn\n0.750000 0.784535 0.034535 Mn\n0.465465 0.250000 0.715466 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.784535 0.034535 0.750000 Mn\n0.015975 0.954794 0.727491 O\n0.288484 0.772509 0.727304 O\n0.484025 0.211516 0.938819 O\n0.954794 0.727490 0.015975 O\n0.772697 0.545206 0.561181 O\n0.211516 0.938819 0.484026 O\n0.545206 0.561181 0.772697 O\n0.727491 0.015975 0.954794 O\n0.561181 0.772696 0.545207 O\n0.727304 0.288484 0.772510 O\n0.061181 0.515975 0.788484 O\n0.515975 0.788484 0.061181 O\n0.272510 0.984025 0.045206 O\n0.227303 0.454794 0.438819 O\n0.454794 0.438819 0.227304 O\n0.788485 0.061181 0.515975 O\n0.272697 0.711516 0.227491 O\n0.045206 0.272510 0.984025 O\n0.772510 0.727303 0.288485 O\n0.711516 0.227490 0.272697 O\n0.984025 0.045206 0.272510 O\n0.438819 0.227303 0.454794 O\n0.227490 0.272697 0.711516 O\n0.938819 0.484025 0.211516 O\n",
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{
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"created_at": "2022-09-04T14:38:31.221460Z",
"updated_at": "2022-09-04T14:38:31.221488Z",
"structure_string": "V6 O8 F4\n1.0\n5.206236 -0.059933 1.787260\n1.264297 5.052304 1.788610\n0.071805 0.042519 7.273765\nV O F\n6 8 4\ndirect\n0.678735 0.703503 0.835742 V\n0.334800 0.347126 0.669513 V\n0.640011 0.650797 0.315949 V\n0.303535 0.326147 0.175276 V\n-0.000748 -0.000274 0.499754 V\n0.031850 0.974302 0.004894 V\n0.953284 0.368459 0.333425 O\n0.633658 0.046207 0.668613 O\n0.318289 0.684394 0.998150 O\n0.425088 0.429750 0.364364 O\n0.230420 0.229498 0.964399 O\n0.363727 0.961338 0.332171 O\n0.035122 0.638434 0.669447 O\n0.771899 0.771002 0.035736 O\n0.105558 0.101158 0.699672 F\n0.573275 0.578549 0.631470 F\n0.895739 0.893019 0.304673 F\n0.705775 0.296592 0.996744 F\n",
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{
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"structure_string": "Ni2 P2 O7\n1.0\n4.428927 0.047736 -0.641062\n-0.951193 5.008662 -1.250269\n0.043765 -0.022173 5.249021\nNi P O\n2 2 7\ndirect\n0.500000 0.313483 0.686518 Ni\n0.500001 0.686518 0.313482 Ni\n0.907999 0.221093 0.221091 P\n0.092001 0.778909 0.778908 P\n0.276341 0.924553 0.614348 O\n0.723660 0.385652 0.075448 O\n0.723660 0.075448 0.385653 O\n0.276341 0.614348 0.924552 O\n-0.000000 0.000000 0.000000 O\n0.219124 0.380562 0.380560 O\n0.780876 0.619440 0.619439 O\n",
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{
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"created_at": "2022-09-04T14:36:13.546311Z",
"updated_at": "2022-09-04T14:36:13.546335Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n4.880878 0.000000 0.000000\n0.000000 5.159528 0.000000\n0.000000 0.000000 8.424193\nLi Mn O F\n4 4 4 8\ndirect\n0.000000 0.000000 0.786097 Li\n0.000000 0.500000 0.180150 Li\n0.500000 0.500000 0.286097 Li\n0.500000 0.000000 0.680150 Li\n0.000000 0.000000 0.428501 Mn\n0.000000 0.500000 0.593942 Mn\n0.500000 0.500000 0.928501 Mn\n0.500000 0.000000 0.093942 Mn\n0.183021 0.817149 0.586129 O\n0.316979 0.317148 0.086129 O\n0.683021 0.682852 0.086129 O\n0.816979 0.182852 0.586129 O\n0.764294 0.650278 0.413913 F\n0.772727 0.167806 0.255612 F\n0.727273 0.667806 0.755612 F\n0.735707 0.150278 0.913912 F\n0.264294 0.849723 0.913912 F\n0.272727 0.332194 0.755612 F\n0.227273 0.832194 0.255612 F\n0.235707 0.349723 0.413913 F\n",
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]
}