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{
"id": "jvasp-42821",
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{
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"structure_string": "Al4 P8 H20 O36\n1.0\n7.249898 0.000000 -2.790608\n0.000000 9.133445 0.000000\n0.007526 0.000000 9.339998\nAl P H O\n4 8 20 36\ndirect\n0.129632 0.281921 0.936020 Al\n0.870369 0.781921 0.563980 Al\n0.870369 0.718078 0.063980 Al\n0.129631 0.218078 0.436020 Al\n0.378857 0.399913 0.267222 P\n0.621144 0.600087 0.732779 P\n0.378857 0.100087 0.767222 P\n0.621143 0.899912 0.232778 P\n0.134838 0.880732 0.366689 P\n0.134838 0.619267 0.866689 P\n0.865163 0.119268 0.633311 P\n0.865162 0.380732 0.133311 P\n0.552474 0.356392 0.069757 H\n0.626406 0.296159 0.423260 H\n0.373594 0.796159 0.076740 H\n0.373594 0.703840 0.576740 H\n0.626407 0.203840 0.923260 H\n0.235070 0.621344 0.242940 H\n0.764931 0.121344 0.257060 H\n0.764931 0.378656 0.757060 H\n0.447527 0.856392 0.430243 H\n0.235070 0.878655 0.742940 H\n0.552474 0.143607 0.569757 H\n0.447527 0.643607 0.930243 H\n0.118772 0.089541 0.138783 H\n0.881229 0.910459 0.861217 H\n0.118772 0.410459 0.638783 H\n0.881229 0.589541 0.361217 H\n0.741911 0.534096 0.436288 H\n0.741911 0.965903 0.936288 H\n0.258090 0.465903 0.563713 H\n0.258090 0.034096 0.063712 H\n0.654826 0.155856 0.529085 O\n0.341950 0.137755 0.598989 O\n0.118141 0.456975 0.820034 O\n0.881860 0.956975 0.679967 O\n0.881860 0.543024 0.179967 O\n0.118141 0.043024 0.320034 O\n0.345175 0.655856 0.970916 O\n0.647027 0.067581 0.207570 O\n0.654826 0.344144 0.029084 O\n0.352974 0.932418 0.792431 O\n0.647027 0.432418 0.707570 O\n0.352974 0.567581 0.292430 O\n0.594380 0.112997 0.856195 O\n0.405621 0.612996 0.643805 O\n0.658051 0.637755 0.901011 O\n0.345175 0.844144 0.470916 O\n0.658051 0.862244 0.401011 O\n0.846424 0.602061 0.453205 O\n0.281479 0.301764 0.343080 O\n0.153576 0.102062 0.046795 O\n0.405621 0.887003 0.143805 O\n0.846425 0.897938 0.953205 O\n0.153577 0.397938 0.546796 O\n0.969470 0.348002 0.028212 O\n0.030530 0.848001 0.471788 O\n0.030530 0.651998 0.971788 O\n0.969471 0.151998 0.528212 O\n0.914500 0.219344 0.773433 O\n0.085501 0.719344 0.726568 O\n0.085500 0.780655 0.226568 O\n0.914500 0.280655 0.273432 O\n0.281479 0.198236 0.843080 O\n0.718522 0.698236 0.656920 O\n0.718522 0.801763 0.156920 O\n0.341950 0.362244 0.098989 O\n0.594380 0.387003 0.356195 O\n",
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"structure_string": "Tc2 B4\n1.0\n1.451632 -2.514300 0.000000\n1.451632 2.514300 -0.000000\n0.000000 0.000000 7.477987\nTc B\n2 4\ndirect\n0.333332 0.666666 0.750000 Tc\n0.666666 0.333332 0.250000 Tc\n0.333332 0.666666 0.047217 B\n0.666666 0.333332 0.952783 B\n0.666666 0.333332 0.547217 B\n0.333332 0.666666 0.452783 B\n",
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{
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"created_at": "2022-09-04T14:37:09.244801Z",
"updated_at": "2022-09-04T14:37:09.244823Z",
"structure_string": "Fe2 O3 F1\n1.0\n4.375077 0.031332 0.000000\n-0.296214 4.365150 0.000000\n-0.000000 -0.000000 2.856781\nFe O F\n2 3 1\ndirect\n0.976619 0.023381 -0.000000 Fe\n0.520951 0.479049 0.500000 Fe\n0.801439 0.198561 0.500000 O\n0.305234 0.300766 -0.000000 O\n0.699235 0.694766 -0.000000 O\n0.196525 0.803476 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:38:34.811995Z",
"updated_at": "2022-09-04T14:38:34.812010Z",
"structure_string": "Li6 Fe1 O6\n1.0\n5.383323 0.026458 0.001366\n2.396537 4.818415 0.001361\n2.413640 1.504475 4.570757\nLi Fe O\n6 1 6\ndirect\n0.716938 0.493276 0.076088 Li\n0.923895 0.282629 0.506479 Li\n0.506744 0.923991 0.282773 Li\n0.493256 0.076009 0.717228 Li\n0.076105 0.717371 0.493522 Li\n0.283062 0.506724 0.923914 Li\n0.000000 0.000000 0.000000 Fe\n0.904360 0.651705 0.202465 O\n0.797183 0.095361 0.348258 O\n0.348050 0.797219 0.095826 O\n0.651949 0.202781 0.904175 O\n0.202816 0.904640 0.651743 O\n0.095640 0.348295 0.797536 O\n",
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{
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"updated_at": "2022-09-04T14:38:10.554653Z",
"structure_string": "Fe8 O14 F2\n1.0\n-4.303336 4.303336 5.734500\n0.064390 4.363306 -2.864091\n-4.363306 -0.064390 -2.864091\nFe O F\n8 14 2\ndirect\n0.619688 0.889724 0.871212 Fe\n0.880314 0.628789 0.610277 Fe\n0.500001 0.500000 0.500000 Fe\n0.250001 0.772442 0.727559 Fe\n0.750001 0.227559 0.272442 Fe\n0.119687 0.371212 0.389724 Fe\n0.380313 0.110277 0.128789 Fe\n0.000000 0.000000 0.000000 Fe\n0.000152 0.696428 0.304826 O\n-0.000151 0.303572 0.695174 O\n0.500152 0.804827 0.196428 O\n0.250000 0.059325 0.440675 O\n0.776755 0.024837 0.030831 O\n0.528087 0.274459 0.278208 O\n0.028087 0.778208 0.774459 O\n0.471915 0.725542 0.721792 O\n0.971915 0.221792 0.225542 O\n0.723246 0.469170 0.475163 O\n0.223246 0.975163 0.969170 O\n0.750001 0.940675 0.559326 O\n0.499849 0.195174 0.803573 O\n0.276755 0.530831 0.524837 O\n0.750001 0.549839 0.950162 F\n0.250000 0.450162 0.049839 F\n",
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{
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"created_at": "2022-09-04T14:35:49.652528Z",
"updated_at": "2022-09-04T14:35:49.652561Z",
"structure_string": "Li3 Fe5 O10\n1.0\n4.867758 0.020985 -0.035421\n-0.817411 4.896794 0.059111\n-2.465628 -2.015556 6.859576\nLi Fe O\n3 5 10\ndirect\n0.201291 0.498640 0.419504 Li\n-0.000000 -0.000000 0.500000 Li\n0.798709 0.501359 0.580497 Li\n0.574684 -0.005340 0.693199 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.210465 0.005617 0.895762 Fe\n0.789536 0.994383 0.104238 Fe\n0.425317 0.005341 0.306801 Fe\n0.397142 0.774710 0.054515 O\n0.980597 0.226929 0.759906 O\n0.788061 0.218988 0.332085 O\n0.211940 0.781011 0.667916 O\n0.820286 0.789057 0.861171 O\n0.602858 0.225290 0.945485 O\n0.419649 0.218344 0.536242 O\n0.580352 0.781656 0.463759 O\n0.019403 0.773070 0.240095 O\n0.179715 0.210942 0.138830 O\n",
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{
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"structure_string": "Li1 Ti1 O2\n1.0\n2.841949 0.032856 4.392832\n1.321616 2.516164 4.392832\n0.053667 0.032856 5.231708\nLi Ti O\n1 1 2\ndirect\n0.500002 0.500002 0.499997 Li\n0.000000 0.000000 0.000000 Ti\n0.253393 0.253391 0.253391 O\n0.746612 0.746609 0.746605 O\n",
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{
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"created_at": "2022-09-04T14:38:40.878427Z",
"updated_at": "2022-09-04T14:38:40.878454Z",
"structure_string": "Fe6 O10 F2\n1.0\n2.859025 -0.000000 0.000000\n0.000000 4.370946 0.175296\n-0.000000 -0.055433 13.096023\nFe O F\n6 10 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.021565 0.342116 Fe\n-0.000000 0.978437 0.657884 Fe\n0.500001 0.472779 0.158457 Fe\n0.500001 0.500001 0.500000 Fe\n0.500001 0.527222 0.841543 Fe\n0.500001 0.203110 0.400869 O\n0.500001 0.185520 0.065325 O\n-0.000000 0.313817 0.900216 O\n-0.000000 0.298365 0.565040 O\n-0.000000 0.297667 0.232329 O\n-0.000000 0.686185 0.099784 O\n-0.000000 0.702334 0.767671 O\n0.500001 0.814481 0.934675 O\n0.500001 0.796892 0.599131 O\n-0.000000 0.701637 0.434960 O\n0.500001 0.800147 0.268475 F\n0.500001 0.199854 0.731525 F\n",
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{
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"updated_at": "2022-09-04T14:38:06.771030Z",
"structure_string": "Li4 Co2 Ni4 O12\n1.0\n4.894567 0.032395 -0.001419\n2.461133 4.279402 -0.002378\n0.001725 0.004318 9.587084\nLi Co Ni O\n4 2 4 12\ndirect\n0.333316 0.247141 0.743921 Li\n0.666601 0.251706 0.243914 Li\n0.667032 0.580312 0.743922 Li\n0.332908 0.918533 0.243922 Li\n-0.000232 0.917156 -0.005028 Co\n0.000013 0.581724 0.494969 Co\n0.330520 0.254316 0.003006 Ni\n0.330777 0.913808 0.503001 Ni\n0.669255 0.244563 0.502997 Ni\n0.668998 0.585078 0.003005 Ni\n0.663406 0.253985 0.894424 O\n0.665018 -0.070493 0.105325 O\n0.334570 0.594711 0.105325 O\n0.334821 0.569361 0.605319 O\n0.336331 0.244906 0.394423 O\n0.000059 0.264539 0.605619 O\n0.336105 0.917659 0.894440 O\n-0.000269 0.579032 0.896057 O\n-0.000216 0.234310 0.105625 O\n0.663620 0.581252 0.394431 O\n-0.000014 0.919873 0.396050 O\n0.665272 0.904138 0.605322 O\n",
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}