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{
"id": "jvasp-51720",
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"structure_string": "Ba4 H4 Br4 O4\n1.0\n4.402759 -0.000000 0.000000\n-0.000000 7.598955 0.000000\n0.000000 0.000000 10.390086\nBa H Br O\n4 4 4 4\ndirect\n0.750000 0.303114 0.405164 Ba\n0.750000 0.803115 0.094836 Ba\n0.250000 0.696886 0.594836 Ba\n0.250000 0.196886 0.905165 Ba\n0.750000 0.245472 0.098028 H\n0.750000 0.745472 0.401973 H\n0.250000 0.754529 0.901973 H\n0.250000 0.254529 0.598028 H\n0.250000 0.467089 0.175995 Br\n0.250000 0.967090 0.324006 Br\n0.750000 0.532911 0.824006 Br\n0.750000 0.032911 0.675995 Br\n0.750000 0.142074 0.042183 O\n0.750000 0.642074 0.457817 O\n0.250000 0.857927 0.957817 O\n0.250000 0.357926 0.542183 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:13.606893Z",
"structure_string": "Ba4 H8\n1.0\n4.146494 -0.000000 0.000000\n-0.000000 6.817103 0.000000\n0.000000 0.000000 7.896650\nBa H\n4 8\ndirect\n0.250000 0.759753 0.385685 Ba\n0.749999 0.240246 0.614315 Ba\n0.250000 0.259754 0.114315 Ba\n0.749999 0.740246 0.885685 Ba\n0.250000 0.529833 0.679684 H\n0.749999 0.470167 0.320316 H\n0.250000 0.029833 0.820316 H\n0.749999 0.970166 0.179684 H\n0.749999 0.355033 0.929398 H\n0.250000 0.644966 0.070602 H\n0.749999 0.855033 0.570602 H\n0.250000 0.144967 0.429398 H\n",
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{
"id": "jvasp-97912",
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"updated_at": "2022-09-04T14:36:07.963844Z",
"structure_string": "Ba4 H8 C4 S4 N4 Cl4 O4\n1.0\n5.887180 0.000000 0.000000\n0.000000 4.757449 0.000000\n0.000000 0.000000 19.991832\nBa H C S N Cl O\n4 8 4 4 4 4 4\ndirect\n0.762050 0.250000 0.083437 Ba\n0.262050 0.250000 0.416563 Ba\n0.237950 0.750000 0.916563 Ba\n0.737950 0.750000 0.583437 Ba\n0.890515 0.086689 0.244083 H\n0.390515 0.413311 0.255917 H\n0.109485 0.586689 0.755917 H\n0.609485 0.913311 0.744083 H\n0.109485 0.913311 0.755917 H\n0.609485 0.586689 0.744083 H\n0.890515 0.413311 0.244083 H\n0.390515 0.086689 0.255917 H\n0.811566 0.250000 0.853142 C\n0.311566 0.250000 0.646857 C\n0.188434 0.750000 0.146857 C\n0.688434 0.750000 0.353142 C\n0.454519 0.750000 0.170948 S\n0.954519 0.750000 0.329052 S\n0.545481 0.250000 0.829052 S\n0.045481 0.250000 0.670948 S\n0.503820 0.250000 0.629897 N\n0.003820 0.250000 0.870103 N\n-0.003820 0.750000 0.129897 N\n0.496180 0.750000 0.370103 N\n0.262430 0.250000 0.022795 Cl\n0.762430 0.250000 0.477205 Cl\n0.737570 0.750000 0.977204 Cl\n0.237570 0.750000 0.522795 Cl\n0.157853 0.750000 0.782510 O\n0.842147 0.250000 0.217490 O\n0.342147 0.250000 0.282510 O\n0.657853 0.750000 0.717490 O\n",
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"updated_at": "2022-09-04T14:36:06.815391Z",
"structure_string": "Ba4 H8 C8 O16\n1.0\n6.359811 0.000000 0.000000\n0.000000 6.638695 0.000000\n0.000000 0.000000 10.951828\nBa H C O\n4 8 8 16\ndirect\n0.441882 0.672938 0.125921 Ba\n0.558117 0.172938 0.374080 Ba\n0.058118 0.327061 0.625921 Ba\n0.941882 0.827061 0.874080 Ba\n0.221034 0.213741 0.043309 H\n0.451025 0.986619 0.783766 H\n0.548975 0.486619 0.716235 H\n0.778966 0.713740 0.456691 H\n0.278966 0.786259 0.543309 H\n0.951025 0.513380 0.216234 H\n0.721034 0.286259 0.956691 H\n0.048975 0.013380 0.283766 H\n-0.033756 -0.078974 0.214580 C\n0.847681 0.801242 0.533079 C\n0.466244 0.578973 0.785421 C\n0.533756 0.078974 0.714580 C\n0.347681 0.698757 0.466921 C\n0.152319 0.301243 0.966921 C\n0.033756 0.421026 0.285421 C\n0.652319 0.198757 0.033079 C\n0.567546 0.622570 0.882600 O\n0.388875 0.515163 0.486620 O\n0.280732 0.633716 0.760812 O\n0.432454 0.122570 0.617400 O\n0.380167 0.793333 0.367135 O\n0.111125 0.484836 0.986620 O\n0.780732 0.866283 0.239188 O\n0.219268 0.366283 0.260812 O\n0.619833 0.293333 0.132865 O\n0.888875 -0.015163 0.513381 O\n0.067546 0.877429 0.117400 O\n0.119833 0.206666 0.867135 O\n0.932453 0.377429 0.382600 O\n0.611124 0.015163 0.013381 O\n0.880167 0.706666 0.632865 O\n0.719268 0.133716 0.739188 O\n",
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{
"id": "jvasp-98620",
"created_at": "2022-09-04T14:35:56.969238Z",
"updated_at": "2022-09-04T14:35:56.969268Z",
"structure_string": "Ba4 H8 C8 O16\n1.0\n8.860846 0.000000 0.000000\n0.000000 7.638982 0.000000\n0.000000 0.000000 6.832715\nBa H C O\n4 8 8 16\ndirect\n0.911403 0.538255 0.327706 Ba\n0.588598 0.461744 0.827706 Ba\n0.411403 0.961744 0.672295 Ba\n0.088598 0.038256 0.172295 Ba\n0.446709 0.699226 0.250777 H\n0.053292 0.300774 0.750777 H\n0.946709 0.800774 0.749224 H\n0.553292 0.199226 0.249223 H\n0.738280 0.045594 0.986282 H\n0.761720 0.954406 0.486281 H\n0.238280 0.454406 0.013719 H\n0.261720 0.545594 0.513719 H\n0.264813 0.400705 0.496085 C\n0.235187 0.599295 -0.003915 C\n0.735187 0.900705 0.003915 C\n0.764814 0.099295 0.503916 C\n0.040971 0.871474 0.677809 C\n0.959029 0.371474 0.822192 C\n0.540971 0.628526 0.322192 C\n0.459029 0.128526 0.177808 C\n0.860189 0.182332 0.402417 O\n0.639811 0.817668 0.902417 O\n0.170477 0.334481 0.377116 O\n0.329523 0.665519 0.877116 O\n0.670477 0.165519 0.622885 O\n0.829524 0.834481 0.122884 O\n0.394012 0.007691 0.273225 O\n0.894012 0.492308 0.726775 O\n0.605989 0.507691 0.226775 O\n0.421732 0.176812 0.005705 O\n0.078268 0.823188 0.505705 O\n0.921732 0.323188 0.994296 O\n0.578269 0.676812 0.494296 O\n0.139811 0.682332 0.097584 O\n0.105989 0.992308 0.773226 O\n0.360189 0.317668 0.597584 O\n",
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{
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"structure_string": "Ba4 H8 O16\n1.0\n0.000000 4.167832 -0.023458\n9.465524 0.000000 0.000000\n0.000000 -1.233726 -8.265963\nBa H O\n4 8 16\ndirect\n0.355513 0.304155 0.376849 Ba\n0.644486 0.804155 0.123151 Ba\n0.644486 0.695845 0.623151 Ba\n0.355513 0.195845 0.876848 Ba\n0.232179 0.563144 0.872696 H\n0.767819 0.063145 0.627304 H\n0.232179 0.936855 0.372696 H\n0.767820 0.436855 0.127304 H\n0.938370 0.387531 0.657977 H\n0.938371 0.112469 0.157978 H\n0.061628 0.612469 0.342022 H\n0.061628 0.887531 0.842022 H\n0.064597 0.809903 0.430336 O\n0.639477 0.510162 0.188657 O\n0.360523 0.010162 0.311343 O\n0.064597 0.690096 0.930336 O\n0.935401 0.190096 0.569664 O\n0.935402 0.309904 0.069664 O\n0.214545 0.797227 0.831394 O\n0.169868 0.004206 0.145381 O\n0.785454 0.202772 0.168606 O\n0.214546 0.702772 0.331394 O\n0.830131 -0.004206 0.854619 O\n0.169867 0.495793 0.645381 O\n0.639476 0.989837 0.688657 O\n0.830132 0.504206 0.354619 O\n0.785453 0.297228 0.668606 O\n0.360522 0.489838 0.811343 O\n",
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{
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"structure_string": "Ba4 Hf1 Bi1\n1.0\n0.000000 5.007566 5.007566\n5.007566 0.000000 5.007566\n5.007566 5.007566 -0.000000\nBa Hf Bi\n4 1 1\ndirect\n0.125993 0.624670 0.624670 Ba\n0.624670 0.624670 0.624670 Ba\n0.624670 0.125993 0.624670 Ba\n0.624670 0.624670 0.125993 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Bi\n",
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"structure_string": "Ba4 Hf1 Br1\n1.0\n0.000000 5.112470 5.112470\n5.112470 0.000000 5.112470\n5.112470 5.112470 -0.000000\nBa Hf Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Br\n",
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{
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"structure_string": "Ba4 Hf1 Cu1\n1.0\n0.000000 4.971529 4.971529\n4.971529 0.000000 4.971529\n4.971529 4.971529 0.000000\nBa Hf Cu\n4 1 1\ndirect\n0.125110 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125110 0.624963 Ba\n0.624963 0.624963 0.125110 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Cu\n",
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}