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{
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{
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"structure_string": "H24 C10 N4 O2\n1.0\n5.399529 0.000000 0.000000\n0.000000 6.762062 0.000000\n0.000000 0.000000 8.615557\nH C N O\n24 10 4 2\ndirect\n0.785147 0.321854 0.044493 H\n0.443090 0.688502 0.432238 H\n0.214854 0.178146 0.544493 H\n0.233153 0.633058 0.072197 H\n0.214854 0.821854 0.544493 H\n0.556910 0.811498 0.932238 H\n0.754768 0.866069 0.288479 H\n0.754768 0.133931 0.288479 H\n0.233153 0.366941 0.072197 H\n0.797479 0.322554 0.834394 H\n0.797479 0.677445 0.834394 H\n0.556910 0.188502 0.932238 H\n0.443090 0.311498 0.432238 H\n0.513125 0.000000 0.189748 H\n0.766848 0.866941 0.572197 H\n0.531082 0.000000 0.677594 H\n0.245232 0.633931 0.788479 H\n0.245232 0.366069 0.788479 H\n0.486875 0.500000 0.689748 H\n0.202521 0.822554 0.334394 H\n0.468918 0.500000 0.177594 H\n0.785147 0.678145 0.044493 H\n0.202521 0.177445 0.334394 H\n0.766848 0.133059 0.572197 H\n0.359957 0.500000 0.789186 C\n0.640044 0.000000 0.289186 C\n0.676890 0.319352 0.936765 C\n0.323110 0.180648 0.436765 C\n0.349171 0.500000 0.074602 C\n0.875298 0.500000 0.438985 C\n0.650829 0.000000 0.574603 C\n0.676890 0.680648 0.936765 C\n0.323110 0.819352 0.436765 C\n0.124702 0.000000 0.938986 C\n0.485207 0.000000 0.434126 N\n0.142228 0.000000 0.800501 N\n0.857772 0.500000 0.300501 N\n0.514793 0.500000 0.934126 N\n0.109060 0.000000 0.081328 O\n0.890940 0.500000 0.581328 O\n",
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{
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{
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"structure_string": "Cu4 S16 Br4 N16\n1.0\n6.921146 -0.019023 0.000000\n-2.490589 8.800026 0.000000\n0.000000 0.000000 11.751153\nCu S Br N\n4 16 4 16\ndirect\n0.136738 0.421791 0.168116 Cu\n0.863263 0.578209 0.831884 Cu\n0.363262 0.578209 0.668116 Cu\n0.636738 0.421792 0.331884 Cu\n0.974790 0.698051 0.082212 S\n0.889094 0.767120 0.386516 S\n0.304306 0.004570 0.620825 S\n0.260650 0.144311 0.416448 S\n0.195694 0.995431 0.120825 S\n0.025211 0.301950 0.917788 S\n0.474789 0.698051 0.417788 S\n0.804306 0.004570 0.879174 S\n0.610907 0.232881 0.886516 S\n0.695695 0.995431 0.379175 S\n0.110907 0.232881 0.613483 S\n0.525211 0.301950 0.582212 S\n0.739351 0.855690 0.583551 S\n0.389093 0.767120 0.113483 S\n0.760651 0.144311 0.083551 S\n0.239350 0.855690 0.916448 S\n0.975688 0.389541 0.352966 Br\n0.475688 0.389541 0.147034 Br\n0.024313 0.610460 0.647034 Br\n0.524313 0.610460 0.852966 Br\n0.367421 0.922432 0.171553 N\n0.132580 0.077568 0.671553 N\n0.230537 0.008163 0.983734 N\n0.025491 0.727914 0.945181 N\n0.166265 0.642867 0.130624 N\n0.974510 0.272087 0.054819 N\n0.666266 0.642867 0.369376 N\n0.269464 0.991838 0.483734 N\n0.867421 0.922433 0.328446 N\n0.333735 0.357133 0.630624 N\n0.730537 0.008163 0.516266 N\n0.525491 0.727914 0.554819 N\n0.769464 0.991838 0.016266 N\n0.474509 0.272087 0.445181 N\n0.833735 0.357134 0.869376 N\n0.632580 0.077568 0.828446 N\n",
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{
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{
"id": "jvasp-23722",
"created_at": "2022-09-04T14:37:34.033452Z",
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"structure_string": "Yb6 Sb10 O24\n1.0\n8.514199 -0.000000 -3.010224\n-4.257099 7.373512 -3.010224\n0.000000 0.000000 9.030671\nYb Sb O\n6 10 24\ndirect\n0.500000 0.750000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.499996 0.499996 0.499997 Sb\n-0.000000 -0.000000 0.500004 Sb\n0.251865 0.251865 0.000000 Sb\n-0.000000 0.500004 0.000000 Sb\n0.748135 0.748135 0.000001 Sb\n0.251865 -0.000000 0.251865 Sb\n-0.000000 0.251865 0.251865 Sb\n0.500004 0.000000 0.000000 Sb\n-0.000000 0.748135 0.748135 Sb\n0.748135 -0.000000 0.748136 Sb\n-0.000000 0.217716 0.467880 O\n0.467872 0.467872 0.250164 O\n0.250163 0.467872 0.467872 O\n0.782292 0.532128 0.000001 O\n0.782292 -0.000000 0.532129 O\n0.217716 0.467880 0.000000 O\n-0.000000 0.467880 0.217716 O\n-0.000000 0.532128 0.782292 O\n-0.000000 0.782291 0.532128 O\n0.782284 0.250164 0.782284 O\n0.250164 0.782284 0.782284 O\n0.749837 0.217708 0.217709 O\n0.467880 0.217716 0.000000 O\n0.532128 -0.000000 0.782292 O\n0.532120 0.749836 0.532120 O\n0.532128 0.782291 0.000001 O\n0.217708 0.749836 0.217709 O\n0.467872 0.250163 0.467872 O\n0.467880 -0.000000 0.217716 O\n0.217708 0.217708 0.749837 O\n0.217716 -0.000000 0.467880 O\n0.782284 0.782284 0.250165 O\n0.532120 0.532120 0.749836 O\n0.749836 0.532120 0.532120 O\n",
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{
"id": "jvasp-22972",
"created_at": "2022-09-04T14:37:31.963434Z",
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}