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{
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n",
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{
"id": "jvasp-87286",
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"structure_string": "Ba8 H16 O16\n1.0\n9.361801 0.000000 -0.892206\n0.000000 7.898165 0.000000\n0.043184 0.000000 6.792202\nBa H O\n8 16 16\ndirect\n0.895134 0.144799 0.251644 Ba\n0.395134 0.355201 0.751645 Ba\n0.104865 0.855200 0.748355 Ba\n0.604865 0.644799 0.248355 Ba\n0.317925 0.050262 0.281608 Ba\n0.817925 0.449738 0.781608 Ba\n0.682074 0.949737 0.718391 Ba\n0.182074 0.550262 0.218391 Ba\n0.092656 0.238532 0.555485 H\n0.592656 0.261468 0.055485 H\n0.907343 0.761467 0.444514 H\n0.407343 0.738532 0.944514 H\n0.120476 0.274128 0.936538 H\n0.379523 0.774127 0.563461 H\n0.879523 0.725872 0.063461 H\n0.620476 0.225872 0.436538 H\n0.977026 0.148812 0.780831 H\n0.522973 0.648811 0.719168 H\n0.022974 0.851188 0.219168 H\n0.882459 0.539986 0.313275 H\n0.382459 0.960014 0.813275 H\n0.117540 0.460014 0.686724 H\n0.617540 0.039986 0.186724 H\n0.477026 0.351188 0.280831 H\n0.841096 0.702166 0.525720 O\n0.341097 0.797833 0.025721 O\n0.605576 0.339923 0.490605 O\n0.105576 0.160077 -0.009395 O\n0.394424 0.660076 0.509395 O\n0.894424 0.839923 0.009394 O\n0.417276 0.361556 0.152360 O\n0.880615 0.494090 0.177807 O\n0.582723 0.638444 0.847639 O\n0.082724 0.861555 0.347640 O\n0.380615 0.005910 0.677808 O\n0.119384 0.505909 0.822192 O\n0.619384 0.994090 0.322192 O\n0.658903 0.202167 0.974279 O\n0.917276 0.138444 0.652359 O\n0.158903 0.297833 0.474279 O\n",
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{
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"created_at": "2022-09-04T14:38:07.995021Z",
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"structure_string": "Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n",
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{
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"structure_string": "Nb12 Ge4 Te24\n1.0\n6.540390 0.000000 0.000000\n0.000000 11.705028 0.000000\n0.000000 0.000000 14.225115\nNb Ge Te\n12 4 24\ndirect\n0.696362 0.969115 0.250000 Nb\n0.196362 0.530885 0.250000 Nb\n0.803638 0.469115 0.750000 Nb\n0.303638 0.030885 0.750000 Nb\n0.963695 0.314584 0.250000 Nb\n0.463695 0.185416 0.250000 Nb\n0.536305 0.814585 0.750000 Nb\n0.036305 0.685416 0.750000 Nb\n0.824984 0.167142 0.750000 Nb\n0.324984 0.332859 0.750000 Nb\n0.675016 0.667142 0.250000 Nb\n0.175016 0.832859 0.250000 Nb\n0.074515 0.075207 0.250000 Ge\n0.574515 0.424793 0.250000 Ge\n0.425485 0.575207 0.750000 Ge\n0.925485 0.924793 0.750000 Ge\n0.136163 0.493048 0.620122 Te\n0.636162 0.006952 0.879878 Te\n0.636162 0.006952 0.620122 Te\n0.136163 0.493048 0.879878 Te\n0.863837 0.506952 0.379878 Te\n0.363837 0.993048 0.120122 Te\n0.784930 0.160591 0.383430 Te\n0.284930 0.339409 0.116570 Te\n0.715070 0.660591 0.616570 Te\n0.215070 0.839409 0.883430 Te\n0.215070 0.839409 0.616570 Te\n0.145194 0.180959 0.616809 Te\n0.284930 0.339409 0.383430 Te\n0.784930 0.160591 0.116570 Te\n0.854805 0.819041 0.383191 Te\n0.354806 0.680959 0.116809 Te\n0.645194 0.319041 0.616809 Te\n0.145194 0.180959 0.883190 Te\n0.863837 0.506952 0.120122 Te\n0.645194 0.319041 0.883190 Te\n0.354806 0.680959 0.383191 Te\n0.854805 0.819041 0.116809 Te\n0.715070 0.660591 0.883430 Te\n0.363837 0.993048 0.379878 Te\n",
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{
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"structure_string": "Ta4 Hg6 S2 O8 F20\n1.0\n8.919697 -0.114385 -2.032008\n-5.216729 7.236008 -2.032008\n0.055730 0.107181 10.197432\nTa Hg S O F\n4 6 2 8 20\ndirect\n0.374590 0.755384 0.109353 Ta\n0.646031 0.265236 0.890646 Ta\n0.505384 0.624589 0.609353 Ta\n0.015237 0.896031 0.390647 Ta\n0.565122 0.294172 0.299821 Hg\n0.989648 0.989648 -0.000001 Hg\n0.044172 0.815122 0.799821 Hg\n0.015300 0.244351 0.200178 Hg\n0.739648 0.239648 0.500000 Hg\n-0.005649 0.265300 0.700178 Hg\n0.150218 0.650218 0.500000 S\n0.400218 0.400218 -0.000000 S\n0.154233 0.778963 0.428368 O\n0.071452 0.652244 0.609698 O\n0.042544 0.461752 0.390301 O\n0.475865 0.600594 0.071631 O\n0.528963 0.404233 0.928368 O\n0.350594 0.725864 0.571631 O\n0.211752 0.292544 0.890301 O\n0.402244 0.321452 0.109699 O\n0.804004 0.678419 0.389675 F\n0.891307 0.009421 0.369151 F\n0.640271 0.522157 0.630848 F\n0.759421 0.141307 0.869151 F\n0.272157 0.890271 0.130848 F\n0.234783 0.095292 0.386448 F\n0.708844 0.848335 0.613551 F\n0.251754 0.660954 0.900101 F\n0.760853 0.351652 0.099898 F\n0.410955 0.501754 0.400101 F\n0.101652 0.010853 0.599898 F\n0.490653 0.838517 0.316713 F\n0.521802 0.173939 0.683286 F\n0.588517 0.740652 0.816713 F\n0.923939 0.771802 0.183286 F\n0.164329 0.538744 0.110324 F\n0.428419 0.054004 0.889675 F\n0.288744 0.414328 0.610324 F\n0.845292 0.484782 0.886447 F\n0.598335 0.958844 0.113552 F\n",
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{
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"structure_string": "Au2 N10 O28\n1.0\n7.114713 0.000000 -2.820127\n0.000000 8.130285 0.000000\n0.088492 0.000000 8.695291\nAu N O\n2 10 28\ndirect\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 -0.000000 N\n-0.000000 0.000000 0.500000 N\n0.834073 0.244419 0.145684 N\n0.665926 0.744419 0.354315 N\n0.871418 0.431209 0.731487 N\n0.128582 0.568791 0.268512 N\n0.165926 0.755582 0.854315 N\n0.334073 0.255581 0.645685 N\n0.628581 0.931209 0.768512 N\n0.371418 0.068791 0.231487 N\n0.514550 0.153074 0.281396 O\n0.174123 0.673412 0.738579 O\n0.485449 0.846927 0.718603 O\n0.325876 0.173411 0.761420 O\n0.548960 0.611759 0.310133 O\n0.247216 0.230336 0.497813 O\n0.901216 0.098375 0.515229 O\n0.828276 0.545042 0.803937 O\n0.825876 0.326589 0.261420 O\n0.951039 0.111759 0.189866 O\n0.985449 0.653074 0.218603 O\n0.171724 0.454959 0.196063 O\n0.252783 0.730336 0.002186 O\n0.747216 0.269664 0.997813 O\n0.598783 0.598376 0.984770 O\n0.674123 0.826589 0.238579 O\n0.671723 0.045041 0.696062 O\n0.753297 0.389415 0.576495 O\n0.746702 0.889416 0.923504 O\n0.048960 0.888242 0.810134 O\n0.253297 0.110585 0.076495 O\n0.098783 0.901625 0.484770 O\n0.752783 0.769665 0.502186 O\n0.014550 0.346927 0.781396 O\n0.246702 0.610585 0.423504 O\n0.328276 0.954959 0.303937 O\n0.451039 0.388240 0.689866 O\n0.401216 0.401625 0.015230 O\n",
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{
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"structure_string": "Al6 Bi10 Cl24\n1.0\n10.304841 0.010848 6.344566\n3.549737 9.674152 6.344566\n0.015518 0.010848 12.101364\nAl Bi Cl\n6 10 24\ndirect\n0.750000 0.224874 0.275126 Al\n0.250000 0.775126 0.724874 Al\n0.775126 0.724874 0.250000 Al\n0.224874 0.275126 0.750000 Al\n0.724874 0.250000 0.775126 Al\n0.275126 0.750000 0.224874 Al\n0.087967 0.250000 0.412033 Bi\n0.912033 0.750000 0.587967 Bi\n0.829412 0.829412 0.829412 Bi\n0.412033 0.087967 0.250000 Bi\n0.750000 0.587967 0.912033 Bi\n0.250000 0.412033 0.087967 Bi\n0.170588 0.170588 0.170588 Bi\n0.670588 0.670588 0.670588 Bi\n0.587968 0.912033 0.750000 Bi\n0.329412 0.329412 0.329412 Bi\n0.696695 0.267771 0.108991 Cl\n0.573245 0.194253 0.462416 Cl\n0.232229 0.803305 0.391010 Cl\n0.305748 0.926755 0.037585 Cl\n0.391010 0.232229 0.803305 Cl\n0.803305 0.391010 0.232229 Cl\n0.608991 0.767771 0.196695 Cl\n0.891010 0.303305 0.732229 Cl\n0.426756 0.805748 0.537584 Cl\n0.805748 0.537585 0.426756 Cl\n0.926755 0.037585 0.305748 Cl\n0.108991 0.696695 0.267771 Cl\n0.767771 0.196695 0.608990 Cl\n0.462416 0.573245 0.194253 Cl\n0.732229 0.891010 0.303305 Cl\n0.303305 0.732229 0.891009 Cl\n0.037585 0.305748 0.926755 Cl\n0.962416 0.694252 0.073245 Cl\n0.196695 0.608990 0.767771 Cl\n0.194253 0.462416 0.573245 Cl\n0.267771 0.108991 0.696695 Cl\n0.694252 0.073245 0.962415 Cl\n0.073245 0.962416 0.694252 Cl\n0.537585 0.426756 0.805748 Cl\n",
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