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{
"id": "jvasp-117506",
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"structure_string": "B1 P1 O2\n1.0\n3.119838 0.000000 0.000000\n0.000000 3.119838 -0.000000\n0.000000 0.000000 5.570325\nB P O\n1 1 2\ndirect\n0.500000 0.500000 0.353173 B\n0.000000 0.000000 0.173721 P\n0.000000 0.000000 0.908903 O\n0.500000 0.500000 0.574206 O\n",
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{
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"structure_string": "K4 V4 Pb4 O16\n1.0\n5.788195 -0.000000 0.000000\n0.000000 7.690878 0.000000\n-0.000000 -0.000000 10.102398\nK V Pb O\n4 4 4 16\ndirect\n0.250000 0.177323 0.906782 K\n0.749999 0.822677 0.093218 K\n0.250000 0.677324 0.593218 K\n0.749999 0.322677 0.406782 K\n0.749999 0.252864 0.077840 V\n0.250000 0.747137 0.922160 V\n0.749999 0.752864 0.422160 V\n0.250000 0.247137 0.577840 V\n0.250000 0.005467 0.289101 Pb\n0.749999 0.994533 0.710899 Pb\n0.250000 0.505467 0.210899 Pb\n0.749999 0.494533 0.789101 Pb\n0.505036 0.159750 0.146101 O\n0.005036 0.840250 0.853899 O\n0.005036 0.340250 0.646101 O\n0.505036 0.659750 0.353899 O\n0.494963 0.840250 0.853899 O\n0.994963 0.159750 0.146101 O\n0.250000 0.284638 0.405938 O\n0.749999 0.471715 0.105572 O\n0.250000 0.784638 0.094062 O\n0.749999 0.215362 0.905938 O\n0.749999 0.971715 0.394428 O\n0.250000 0.028285 0.605572 O\n0.494963 0.340250 0.646101 O\n0.250000 0.528285 0.894428 O\n0.749999 0.715362 0.594062 O\n0.994963 0.659750 0.353899 O\n",
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{
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"updated_at": "2022-09-04T14:38:45.698907Z",
"structure_string": "Sr4 Lu8 Se16\n1.0\n4.066101 -0.000000 0.000000\n0.000000 12.470250 0.000000\n-0.000000 -0.000000 14.723941\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.760692 0.333097 Sr\n0.250000 0.260692 0.166903 Sr\n0.750000 0.239308 0.666903 Sr\n0.750000 0.739308 0.833097 Sr\n0.750000 0.083243 0.402750 Lu\n0.750000 0.583243 0.097250 Lu\n0.250000 0.416757 0.902750 Lu\n0.250000 0.916757 0.597250 Lu\n0.750000 0.559949 0.610690 Lu\n0.250000 0.940051 0.110690 Lu\n0.250000 0.440051 0.389310 Lu\n0.750000 0.059949 0.889310 Lu\n0.250000 0.028336 0.284465 Se\n0.250000 0.908556 0.923891 Se\n0.250000 0.408556 0.576109 Se\n0.750000 0.471664 0.784465 Se\n0.750000 0.971664 0.715535 Se\n0.250000 0.528336 0.215535 Se\n0.750000 0.372232 0.030344 Se\n0.250000 0.704324 0.666976 Se\n0.250000 0.627768 0.969656 Se\n0.250000 0.127768 0.530344 Se\n0.750000 0.295676 0.333024 Se\n0.750000 0.795676 0.166976 Se\n0.750000 0.591444 0.423891 Se\n0.250000 0.204324 0.833024 Se\n0.750000 0.872232 0.469656 Se\n0.750000 0.091444 0.076109 Se\n",
"nsites": 28,
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{
"id": "jvasp-115384",
"created_at": "2022-09-04T14:38:45.691024Z",
"updated_at": "2022-09-04T14:38:45.691037Z",
"structure_string": "Pb2 S1\n1.0\n3.714744 0.000000 0.000000\n0.000000 3.418315 0.000000\n0.000000 0.000000 7.528191\nPb S\n2 1\ndirect\n-0.033328 0.000000 0.729954 Pb\n-0.033328 0.000000 0.270045 Pb\n0.466655 0.000000 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:38:45.688868Z",
"updated_at": "2022-09-04T14:38:45.688896Z",
"structure_string": "Rb2 Pd1 Br1\n1.0\n-1.940812 6.080070 5.438819\n1.940812 -6.080070 5.438819\n1.940812 6.080070 -5.438819\nRb Pd Br\n2 1 1\ndirect\n0.253588 0.000000 0.253588 Rb\n0.746412 0.000000 0.746412 Rb\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-112157",
"created_at": "2022-09-04T14:38:45.684318Z",
"updated_at": "2022-09-04T14:38:45.684348Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.812525 0.090167 0.184696\n1.301535 4.393978 0.893684\n0.196458 -0.008641 9.443689\nHf H C O\n1 8 6 4\ndirect\n0.036060 0.832713 0.307175 Hf\n0.787448 0.207182 0.914603 H\n0.314438 0.327721 0.880226 H\n0.806263 0.743917 0.851551 H\n0.323053 0.885594 0.854309 H\n0.063233 0.335271 0.670621 H\n0.676050 0.225416 0.645094 H\n0.257880 0.727237 0.633830 H\n0.602791 0.902834 0.601133 H\n0.534678 0.397478 0.920147 C\n0.554939 0.697984 0.825276 C\n0.541063 0.699608 0.663016 C\n0.888371 0.446836 0.452700 C\n0.798010 0.413334 0.614008 C\n0.442307 0.405054 0.077750 C\n0.208202 0.646286 0.111662 O\n0.979980 0.161024 0.412989 O\n0.588181 0.661333 0.360939 O\n0.579613 0.162434 0.169749 O\n",
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"formula_full": "Hf1 H8 C6 O4",
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{
"id": "jvasp-115698",
"created_at": "2022-09-04T14:38:45.680187Z",
"updated_at": "2022-09-04T14:38:45.680222Z",
"structure_string": "Li1 Mg1 Br1\n1.0\n3.817222 0.000000 0.000000\n0.000000 3.817222 0.000000\n0.000000 0.000000 7.589134\nLi Mg Br\n1 1 1\ndirect\n0.000000 0.000000 0.634785 Li\n0.000000 0.000000 -0.002897 Mg\n0.000000 0.000000 0.329714 Br\n",
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{
"id": "jvasp-112957",
"created_at": "2022-09-04T14:38:45.678221Z",
"updated_at": "2022-09-04T14:38:45.678246Z",
"structure_string": "Mg2 B4 H16\n1.0\n6.825334 -0.196523 -3.077374\n-2.923311 6.170742 -3.077374\n0.128358 0.196523 7.485916\nMg B H\n2 4 16\ndirect\n0.250000 0.750000 0.500001 Mg\n0.000000 0.000000 0.000000 Mg\n0.614492 0.842682 0.771809 B\n0.070875 0.842682 0.228192 B\n0.157317 0.385508 0.228192 B\n0.157317 0.929125 0.771809 B\n0.005279 0.975726 0.719902 H\n0.255825 0.285378 0.280099 H\n0.714622 0.744174 0.719902 H\n0.024274 -0.005279 0.280099 H\n0.024274 0.744174 0.029553 H\n0.714622 -0.005279 0.970448 H\n0.082915 0.433946 0.351030 H\n0.268114 0.917084 0.351030 H\n0.566054 0.917084 0.648971 H\n0.255825 0.975726 0.970448 H\n0.284982 0.032486 0.747504 H\n0.284982 0.537478 0.252497 H\n0.967513 0.715018 0.252497 H\n0.462521 0.715018 0.747504 H\n0.082915 0.731885 0.648971 H\n0.005279 0.285378 0.029553 H\n",
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{
"id": "jvasp-116846",
"created_at": "2022-09-04T14:38:45.676332Z",
"updated_at": "2022-09-04T14:38:45.676358Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n4.924575 -0.051879 0.000000\n-2.399163 4.300947 0.000000\n-0.000000 -0.000000 9.997252\nLi Mn Cr O\n4 4 2 12\ndirect\n0.660677 0.160678 0.750000 Li\n0.839322 0.339322 0.250000 Li\n0.160678 0.660678 0.750000 Li\n0.339322 0.839323 0.250000 Li\n0.837303 0.162696 0.500000 Mn\n0.662696 0.337304 -0.000000 Mn\n0.337304 0.662696 -0.000000 Mn\n0.162697 0.837305 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.160239 0.504299 0.393131 O\n0.837825 0.837825 0.396356 O\n0.995700 0.339762 0.893130 O\n0.662175 0.662175 0.896356 O\n0.337825 0.337825 0.103644 O\n0.660238 0.004299 0.106869 O\n0.839761 0.495701 0.606869 O\n0.504299 0.160238 0.393131 O\n0.339762 0.995702 0.893130 O\n0.495701 0.839762 0.606869 O\n0.162175 0.162175 0.603643 O\n0.004300 0.660239 0.106869 O\n",
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{
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"updated_at": "2022-09-04T14:38:45.674911Z",
"structure_string": "B1 Os1 O4\n1.0\n-2.692654 2.692654 2.684171\n2.692654 -2.692654 2.684171\n2.692654 2.692654 -2.684171\nB Os O\n1 1 4\ndirect\n0.250000 0.749998 0.499999 B\n0.000000 0.000000 0.000000 Os\n0.600713 0.025666 0.800792 O\n0.200079 0.399285 0.424952 O\n0.224873 0.799918 0.199205 O\n-0.025667 0.775124 0.575045 O\n",
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{
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"structure_string": "Li1 Mg1 Br1\n1.0\n-1.735011 1.735011 6.231188\n1.735011 -1.735011 6.231188\n1.735011 1.735011 -6.231188\nLi Mg Br\n1 1 1\ndirect\n0.709285 0.709285 0.000000 Li\n0.018694 0.018694 0.000000 Mg\n0.272022 0.272022 0.000000 Br\n",
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{
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"updated_at": "2022-09-04T14:38:45.664502Z",
"structure_string": "Li2 Co3 Bi1 O8\n1.0\n5.137304 0.049345 3.432213\n1.860249 4.788925 3.432213\n0.071368 0.049345 6.177936\nLi Co Bi O\n2 3 1 8\ndirect\n0.109696 0.109697 0.109696 Li\n0.890302 0.890306 0.890302 Li\n-0.000000 0.500001 0.500000 Co\n0.499999 0.000001 0.500000 Co\n0.499999 0.500001 -0.000001 Co\n0.499999 0.500001 0.499999 Bi\n0.242486 0.711281 0.242486 O\n0.711279 0.242488 0.242486 O\n0.731726 0.731729 0.731726 O\n0.242487 0.242488 0.711279 O\n0.757512 0.757515 0.288719 O\n0.268273 0.268274 0.268273 O\n0.288720 0.757515 0.757512 O\n0.757512 0.288722 0.757513 O\n",
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}