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{
"id": "jvasp-112204",
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{
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"structure_string": "Hf2 Be26\n1.0\n6.098446 0.000000 3.520939\n2.032815 5.749670 3.520939\n0.000000 0.000000 7.041879\nHf Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750000 0.750000 Hf\n0.061872 0.706713 0.293287 Be\n0.206713 0.438128 0.561871 Be\n0.438129 0.561872 0.206713 Be\n0.561872 0.206713 0.438128 Be\n0.206713 0.561872 0.793287 Be\n0.206714 0.793287 0.438128 Be\n0.793288 0.561872 0.438128 Be\n0.293288 0.706713 0.938128 Be\n0.293287 0.061872 0.706713 Be\n0.061872 0.938128 0.706713 Be\n0.706714 0.938128 0.293287 Be\n0.938130 0.706713 0.061871 Be\n0.938129 0.293287 0.706713 Be\n0.061872 0.293287 0.938128 Be\n0.793288 0.438128 0.206713 Be\n0.438129 0.793287 0.561871 Be\n0.438129 0.206713 0.793287 Be\n0.561873 0.793287 0.206712 Be\n0.793288 0.206713 0.561871 Be\n0.561872 0.438128 0.793287 Be\n0.293288 0.938128 0.061871 Be\n0.500001 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.706713 0.061872 0.938128 Be\n0.938129 0.061872 0.293287 Be\n0.706713 0.293287 0.061871 Be\n",
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{
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"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
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{
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"structure_string": "Mg2 B4 H16\n1.0\n4.306414 0.000000 0.000000\n0.000000 5.334074 0.000000\n0.000000 0.000000 8.450067\nMg B H\n2 4 16\ndirect\n0.000000 0.716394 0.504380 Mg\n0.000000 0.283605 0.004379 Mg\n0.000000 0.527151 0.246233 B\n0.000000 0.472848 0.746233 B\n0.499999 0.055282 0.976933 B\n0.499999 0.944718 0.476932 B\n0.240398 0.524532 0.676218 H\n0.721794 -0.003306 0.563262 H\n0.000000 0.595546 0.870056 H\n0.721794 0.003306 0.063262 H\n0.499999 0.718083 0.444111 H\n0.000000 0.244815 0.763396 H\n0.240398 0.475467 0.176218 H\n0.000000 0.755184 0.263396 H\n0.278205 0.003306 0.063262 H\n0.759601 0.475467 0.176218 H\n0.000000 0.404454 0.370055 H\n0.499999 0.932985 0.856965 H\n0.499999 0.067014 0.356964 H\n0.278205 -0.003306 0.563262 H\n0.759601 0.524532 0.676218 H\n0.499999 0.281916 0.944111 H\n",
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{
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"structure_string": "Np1 H3\n1.0\n-1.680662 1.680662 3.123666\n1.680662 -1.680662 3.123666\n1.680662 1.680662 -3.123666\nNp H\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750002 0.250001 0.500000 H\n0.250001 0.750002 0.500000 H\n0.500001 0.500001 0.000000 H\n",
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{
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"updated_at": "2022-09-04T14:37:37.790193Z",
"structure_string": "Fe2 H2 O4\n1.0\n3.839985 0.000000 0.000000\n0.000000 6.021461 1.526411\n0.000000 -6.021461 1.526411\nFe H O\n2 2 4\ndirect\n0.246479 0.680389 0.319610 Fe\n0.746478 0.319610 0.680389 Fe\n0.448677 0.017444 0.982555 H\n0.948676 0.982555 0.017444 H\n0.245869 0.302601 0.697398 O\n0.745868 0.697398 0.302601 O\n0.244471 0.072071 0.927928 O\n0.744470 0.927928 0.072071 O\n",
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{
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"structure_string": "Li12 C4 N8\n1.0\n4.632535 -0.000000 -1.892578\n0.000000 6.750165 0.000000\n-0.010025 -0.000000 6.776525\nLi C N\n12 4 8\ndirect\n0.253094 0.027509 0.995623 Li\n0.251009 0.699895 0.179036 Li\n0.251008 0.800104 0.679036 Li\n0.748989 0.300105 0.820962 Li\n0.254564 0.017276 0.370859 Li\n0.745434 0.517276 0.129140 Li\n0.748990 0.199895 0.320962 Li\n0.254564 0.482723 0.870859 Li\n0.253095 0.472491 0.495624 Li\n0.746904 0.972491 0.004375 Li\n0.746903 0.527508 0.504375 Li\n0.745434 0.982723 0.629139 Li\n0.842908 0.863948 0.370415 C\n0.157091 0.363948 0.129584 C\n0.157090 0.136051 0.629584 C\n0.842907 0.636051 0.870414 C\n0.001389 0.709688 0.371369 N\n0.425639 0.074227 0.720621 N\n0.574358 0.574227 0.779377 N\n0.574359 0.925772 0.279377 N\n0.425640 0.425772 0.220622 N\n-0.001390 0.290311 0.628630 N\n0.001388 0.790311 0.871369 N\n-0.001389 0.209688 0.128630 N\n",
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"structure_string": "Li3 Mn1 O2 F2\n1.0\n-0.000003 1.988879 1.988880\n-4.397091 0.029130 -4.006885\n-4.397091 -4.006883 0.029130\nLi Mn O F\n3 1 2 2\ndirect\n0.000132 0.500598 0.000537 Li\n0.000149 0.500564 0.500564 Li\n0.000131 0.000537 0.500598 Li\n0.000274 0.000639 0.000644 Mn\n0.500338 0.772490 0.228847 O\n0.500337 0.228848 0.772489 O\n0.525904 0.263463 0.263463 F\n0.474674 0.737846 0.737846 F\n",
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"structure_string": "Mg2 B4 H16\n1.0\n0.000000 5.334863 -0.000317\n4.306030 0.000000 0.000000\n0.000000 -0.000563 -8.451117\nMg B H\n2 4 16\ndirect\n0.716304 0.000000 0.995663 Mg\n0.283694 0.000000 0.495661 Mg\n0.055302 0.500000 0.523075 B\n0.944698 0.500000 0.023077 B\n0.472880 0.000000 0.753797 B\n0.527118 0.000000 0.253795 B\n0.475449 0.759588 0.323808 H\n0.524552 0.240413 0.823809 H\n0.524552 0.759587 0.823809 H\n0.475449 0.240412 0.323808 H\n0.244895 0.000000 0.736605 H\n0.755103 0.000000 0.236604 H\n0.404421 0.000000 0.129997 H\n0.996599 0.278165 0.936751 H\n0.003402 0.721836 0.436747 H\n0.932974 0.500000 0.643012 H\n0.996599 0.721835 0.936751 H\n0.003402 0.278164 0.436747 H\n0.718114 0.500000 0.055960 H\n0.281887 0.500000 0.555958 H\n0.595573 0.000000 0.629999 H\n0.067029 0.500000 0.143014 H\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n3.787436 0.011864 0.565973\n1.679253 4.749259 0.982085\n-0.001351 -0.186876 7.829217\nCd H C O\n1 6 5 4\ndirect\n0.843454 0.324149 0.222967 Cd\n0.728624 0.528040 0.628666 H\n0.095856 0.557992 0.724015 H\n0.424842 0.052380 0.587966 H\n0.125534 0.085738 0.861514 H\n0.785075 0.092036 0.683164 H\n0.363664 0.716068 0.891490 H\n0.105206 0.691361 0.452141 C\n0.886184 0.669959 0.630016 C\n0.625470 0.951084 0.685524 C\n0.401644 0.921392 0.865100 C\n0.578143 0.959494 0.015202 C\n0.260936 0.459317 0.384491 O\n0.143463 0.921634 0.384292 O\n0.486320 0.215988 0.049565 O\n0.811869 0.757074 0.097927 O\n",
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{
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"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n4.360422 -2.548406 0.008766\n1.488072 -0.848502 4.790685\n-1.503145 -7.575719 0.032272\nLi Ti Ni O\n4 2 4 10\ndirect\n0.199513 0.999984 0.600975 Li\n0.301003 0.500004 0.397997 Li\n0.800652 0.000003 0.398688 Li\n0.495684 0.500008 0.008620 Li\n0.394885 -0.000001 0.210238 Ti\n0.696222 0.499990 0.607577 Ti\n0.604960 0.000005 0.790071 Ni\n0.897710 0.500002 0.204578 Ni\n0.102565 0.500002 0.794858 Ni\n0.000356 1.000000 0.999286 Ni\n0.936514 0.735854 0.601365 O\n0.053711 0.249287 0.398943 O\n0.361258 0.743681 0.789940 O\n0.462119 0.264150 0.601364 O\n0.161900 0.766381 0.197529 O\n0.249283 0.243363 0.005788 O\n0.848809 0.256310 0.789937 O\n0.640566 0.233630 0.197528 O\n0.547344 0.750720 0.398941 O\n0.744925 0.756639 0.005788 O\n",
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]
}