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{
"id": "jvasp-31854",
"created_at": "2022-09-04T14:38:05.563360Z",
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"structure_string": "Cu1 H12 N10 O8\n1.0\n5.873165 -0.106909 -2.341268\n-3.577144 6.453497 -0.942728\n0.002587 0.023094 7.469761\nCu H N O\n1 12 10 8\ndirect\n0.000000 0.500000 0.000000 Cu\n0.744169 0.659992 0.078978 H\n0.135191 0.877810 0.966616 H\n0.255831 0.340007 0.921021 H\n0.857014 0.579422 0.273695 H\n0.007865 0.307123 0.256561 H\n0.303725 0.781375 0.907620 H\n0.142986 0.420577 0.726304 H\n0.864809 0.122190 0.033384 H\n0.992135 0.692877 0.743438 H\n0.696276 0.218625 0.092380 H\n0.948307 0.193709 0.739534 H\n0.051694 0.806290 0.260466 H\n0.593979 0.812545 0.392890 N\n0.489872 0.251814 0.336332 N\n0.510128 0.748186 0.663667 N\n0.121444 0.742807 0.895747 N\n0.671414 0.876327 0.599546 N\n0.904489 0.653708 0.175574 N\n0.878556 0.257192 0.104252 N\n0.406021 0.187455 0.607109 N\n0.095512 0.346292 0.824425 N\n0.328587 0.123672 0.400453 N\n0.611214 0.799450 0.856271 O\n0.388786 0.200550 0.143729 O\n0.719964 0.395696 0.449667 O\n0.451478 0.625273 0.281914 O\n0.548522 0.374727 0.718085 O\n0.280036 0.604304 0.550333 O\n0.695442 0.958441 0.331805 O\n0.304558 0.041558 0.668195 O\n",
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{
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"structure_string": "Cu2 H24 N4 Cl8 O4\n1.0\n7.478141 0.000000 0.000000\n-0.000000 7.478141 0.000000\n0.000000 0.000000 7.861199\nCu H N Cl O\n2 24 4 8 4\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.075750 0.415290 0.174041 H\n0.924250 0.584710 0.174041 H\n0.575750 0.084710 0.674041 H\n0.424250 0.915290 0.674041 H\n0.924250 0.584710 0.825959 H\n0.424250 0.915290 0.325959 H\n0.575750 0.084710 0.325959 H\n0.415290 0.075750 0.174041 H\n0.584710 0.924250 0.174041 H\n0.084710 0.575750 0.674041 H\n0.915290 0.424250 0.674041 H\n0.075750 0.415290 0.825959 H\n0.415290 0.075750 0.825959 H\n0.915290 0.424250 0.325959 H\n0.084710 0.575750 0.325959 H\n0.077199 0.077199 0.322294 H\n0.922801 0.922801 0.322294 H\n0.422801 0.577199 0.822295 H\n0.577199 0.422801 0.822295 H\n0.922801 0.922801 0.677706 H\n0.077199 0.077199 0.677706 H\n0.577199 0.422801 0.177706 H\n0.422801 0.577199 0.177706 H\n0.584710 0.924250 0.825959 H\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.280615 0.719384 0.500000 Cl\n0.719384 0.280615 0.500000 Cl\n0.219384 0.219384 0.000000 Cl\n0.780615 0.780615 0.000000 Cl\n0.279832 0.720168 0.000000 Cl\n0.720168 0.279832 0.000000 Cl\n0.220168 0.220168 0.500000 Cl\n0.779832 0.779832 0.500000 Cl\n0.500000 0.500000 0.748302 O\n0.500000 0.500000 0.251698 O\n0.000000 0.000000 0.751698 O\n0.000000 0.000000 0.248302 O\n",
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"elements": [
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"density_atomic": 0.0955373522979661,
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"formula_full": "Cu2 H24 N4 Cl8 O4",
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{
"id": "jvasp-31941",
"created_at": "2022-09-04T14:37:34.703633Z",
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"structure_string": "Cu1 H12 I4 N4\n1.0\n5.468622 4.376664 -4.382862\n-5.468622 4.376664 4.382862\n0.083170 0.000000 6.597839\nCu H I N\n1 12 4 4\ndirect\n0.500000 0.500000 0.000000 Cu\n0.719317 0.791365 0.145011 H\n0.208634 0.280682 0.145011 H\n0.791365 0.719317 0.854989 H\n0.555671 0.876198 0.851152 H\n0.123801 0.444328 0.851152 H\n0.280682 0.208634 0.854989 H\n0.876198 0.555671 0.148848 H\n0.495156 0.763626 0.104973 H\n0.236373 0.504843 0.104973 H\n0.504843 0.236373 0.895027 H\n0.763626 0.495156 0.895027 H\n0.444328 0.123801 0.148848 H\n0.907381 0.092618 0.535296 I\n0.092618 0.907381 0.464704 I\n0.699288 0.300711 0.619870 I\n0.300711 0.699288 0.380130 I\n0.238427 0.425304 0.027291 N\n0.761572 0.574695 0.972709 N\n0.425304 0.238427 0.972709 N\n0.574695 0.761572 0.027291 N\n",
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{
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"created_at": "2022-09-04T14:38:39.061565Z",
"updated_at": "2022-09-04T14:38:39.061582Z",
"structure_string": "Cu2 H2\n1.0\n2.646477 -0.000000 0.000000\n-1.323238 2.291917 0.000000\n-0.000000 0.000000 5.696699\nCu H\n2 2\ndirect\n0.333333 0.666668 0.306724 Cu\n0.666668 0.333333 0.693276 Cu\n0.333333 0.666668 0.822699 H\n0.666668 0.333333 0.177301 H\n",
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{
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"created_at": "2022-09-04T14:36:41.598351Z",
"updated_at": "2022-09-04T14:36:41.598373Z",
"structure_string": "Cu2 H2\n1.0\n1.426714 -2.471141 0.000000\n1.426714 2.471141 0.000000\n0.000000 -0.000000 4.593401\nCu H\n2 2\ndirect\n0.666665 0.333332 0.502192 Cu\n0.333332 0.666665 0.002192 Cu\n0.666665 0.333332 0.122808 H\n0.333332 0.666665 0.622808 H\n",
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},
{
"id": "jvasp-40621",
"created_at": "2022-09-04T14:37:48.921705Z",
"updated_at": "2022-09-04T14:37:48.921725Z",
"structure_string": "Cu1 Ge1 Rh2\n1.0\n0.000000 2.999564 2.999564\n2.999564 0.000000 2.999564\n2.999564 2.999564 0.000000\nCu Ge Rh\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Cu\n0.750000 0.750000 0.750000 Ge\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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{
"id": "jvasp-93259",
"created_at": "2022-09-04T14:36:34.952265Z",
"updated_at": "2022-09-04T14:36:34.952290Z",
"structure_string": "Cu1 Ge1 I3\n1.0\n4.989585 4.006170 4.224479\n-1.226748 2.874762 2.914770\n-2.598897 -6.397531 2.178072\nCu Ge I\n1 1 3\ndirect\n0.107794 0.196046 0.000000 Cu\n0.805894 -0.007300 0.000000 Ge\n0.344527 0.462679 0.000000 I\n0.031538 0.418288 0.345291 I\n0.686247 0.418288 0.654708 I\n",
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},
{
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"created_at": "2022-09-04T14:38:39.303639Z",
"updated_at": "2022-09-04T14:38:39.303666Z",
"structure_string": "Cu1 Ge2 P3\n1.0\n3.861855 0.000000 0.000000\n-1.930928 3.344464 0.000000\n-0.000000 0.000000 9.432423\nCu Ge P\n1 2 3\ndirect\n0.000000 0.000000 0.981880 Cu\n0.666665 0.333333 0.327690 Ge\n0.333332 0.666666 0.692815 Ge\n0.000000 0.000000 0.226327 P\n0.666665 0.333333 0.585633 P\n0.333332 0.666666 0.935653 P\n",
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{
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"structure_string": "Cu2 Ge4 N6\n1.0\n5.526222 0.000443 0.000000\n-2.766444 4.787329 0.000000\n0.000000 0.000000 5.220579\nCu Ge N\n2 4 6\ndirect\n0.000001 0.661642 0.502850 Cu\n0.000000 0.338358 0.002850 Cu\n0.328601 0.330813 0.492142 Ge\n0.671399 0.002211 0.492142 Ge\n0.671399 0.669186 0.992142 Ge\n0.328601 0.997788 0.992142 Ge\n0.369040 0.334778 0.855493 N\n0.630961 0.965738 0.855493 N\n0.630961 0.665222 0.355493 N\n0.369039 0.034261 0.355493 N\n0.000001 0.694704 0.889881 N\n0.000000 0.305296 0.389881 N\n",
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{
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"structure_string": "Cu1 F3\n1.0\n5.956960 0.982130 0.534512\n-3.591227 -2.798331 -0.317753\n-0.578067 -1.229114 -3.522043\nCu F\n1 3\ndirect\n0.908274 0.930730 -0.018655 Cu\n0.539079 0.862705 0.837769 F\n0.908232 0.930616 0.481359 F\n0.277504 -0.001225 0.124851 F\n",
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{
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"structure_string": "Cu2 F4\n1.0\n3.165321 0.000000 -0.184156\n0.000000 4.653705 0.000000\n0.267573 0.000000 4.643474\nCu F\n2 4\ndirect\n0.499999 0.500001 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.500070 0.802336 0.198428 F\n-0.000070 0.302336 0.301571 F\n0.000069 0.697665 0.698428 F\n0.499929 0.197665 0.801570 F\n",
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{
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"structure_string": "Cu2 F4\n1.0\n3.168685 0.000000 -0.198165\n0.000000 4.648287 0.000000\n0.247362 0.000000 4.644536\nCu F\n2 4\ndirect\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.499079 0.802060 0.198229 F\n0.000921 0.302060 0.301772 F\n0.999079 0.697940 0.698230 F\n0.500922 0.197940 0.801773 F\n",
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}
]
}