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{
"id": "jvasp-32125",
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"structure_string": "Cu2 H12 N4 Cl4\n1.0\n0.000000 -0.000000 -5.771194\n3.810615 -5.387542 0.000000\n-3.810615 -5.387542 0.000000\nCu H N Cl\n2 12 4 4\ndirect\n0.750000 0.110075 0.110075 Cu\n0.250000 0.889924 0.889924 Cu\n0.894343 0.463082 0.841263 H\n0.605656 0.463082 0.841263 H\n0.750000 0.323346 0.713863 H\n0.394342 0.158737 0.536918 H\n0.105657 0.158737 0.536918 H\n0.250000 0.286136 0.676654 H\n0.605656 0.841263 0.463082 H\n0.750000 0.713863 0.323346 H\n0.250000 0.676654 0.286136 H\n0.394342 0.536918 0.158737 H\n0.105657 0.536918 0.158737 H\n0.894343 0.841263 0.463082 H\n0.250000 0.631313 0.150878 N\n0.750000 0.849122 0.368688 N\n0.250000 0.150878 0.631313 N\n0.750000 0.368688 0.849122 N\n0.250000 0.664898 0.664898 Cl\n0.250000 0.111926 0.111926 Cl\n0.750000 0.335103 0.335103 Cl\n0.750000 0.888073 0.888073 Cl\n",
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{
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"formula_full": "Li4 Ni3 Sb1 P4 O16",
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{
"id": "jvasp-119722",
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"updated_at": "2022-09-04T14:38:52.514309Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
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{
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"structure_string": "Mn8 O8 F8\n1.0\n6.131348 -0.000000 0.000000\n0.000000 4.606554 0.013738\n-0.000000 -0.019858 9.153270\nMn O F\n8 8 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.751797 0.469362 0.766204 Mn\n0.251797 0.530636 0.733796 Mn\n0.748203 0.469362 0.266204 Mn\n0.248203 0.530637 0.233796 Mn\n0.753762 0.166043 0.407931 O\n0.746238 0.166043 0.907931 O\n-0.001395 0.321837 0.154411 O\n0.501395 0.321837 0.654411 O\n0.498605 0.678162 0.345589 O\n0.001395 0.678162 0.845589 O\n0.253762 0.833956 0.092069 O\n0.246238 0.833956 0.592069 O\n0.745182 0.788844 0.621893 F\n0.754819 0.788844 0.121893 F\n0.499191 0.690725 0.867799 F\n0.000809 0.690725 0.367799 F\n-0.000809 0.309274 0.632201 F\n0.500809 0.309274 0.132201 F\n0.245182 0.211154 0.878108 F\n0.254818 0.211154 0.378108 F\n",
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{
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"created_at": "2022-09-04T14:37:59.226791Z",
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"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
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{
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"created_at": "2022-09-04T14:37:33.267651Z",
"updated_at": "2022-09-04T14:37:33.267678Z",
"structure_string": "Dy8 B16 C8\n1.0\n6.783936 -0.000000 0.000000\n0.000000 6.783936 -0.000000\n-0.000000 0.000000 7.491189\nDy B C\n8 16 8\ndirect\n0.309346 0.809347 0.750000 Dy\n0.190654 0.309346 0.250000 Dy\n0.809347 0.690654 0.250000 Dy\n0.690654 0.190654 0.750000 Dy\n0.690654 0.190654 0.250000 Dy\n0.809347 0.690654 0.750000 Dy\n0.190654 0.309346 0.750000 Dy\n0.309346 0.809347 0.250000 Dy\n0.905282 0.403079 0.500000 B\n0.094719 0.596922 0.500000 B\n0.903079 0.405282 0.000000 B\n0.403079 0.094719 0.000000 B\n0.596922 0.905282 0.000000 B\n0.594719 0.903079 0.500000 B\n0.405282 0.096922 0.500000 B\n0.096922 0.594719 0.000000 B\n0.465550 0.347794 0.500000 B\n0.965550 0.152207 0.500000 B\n0.034450 0.847794 0.500000 B\n0.652207 0.465550 0.000000 B\n0.347794 0.534451 0.000000 B\n0.847794 0.965550 0.000000 B\n0.534451 0.652207 0.500000 B\n0.152207 0.034450 0.000000 B\n0.177326 0.040592 0.500000 C\n0.677327 0.459408 0.500000 C\n0.322674 0.540593 0.500000 C\n0.959408 0.177326 0.000000 C\n0.040592 0.822674 0.000000 C\n0.540593 0.677327 0.000000 C\n0.822674 0.959408 0.500000 C\n0.459408 0.322674 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:36:40.171478Z",
"updated_at": "2022-09-04T14:36:40.171500Z",
"structure_string": "Ta1 Ti1 C2\n1.0\n2.994830 0.001282 4.493050\n1.361133 2.667644 4.493050\n0.002093 0.001282 5.399676\nTa Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499998 0.500002 Ti\n0.751225 0.751224 0.751229 C\n0.248774 0.248773 0.248775 C\n",
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{
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"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
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{
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{
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"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
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{
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{
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"structure_string": "Al4 Si4 O14\n1.0\n5.197742 -0.021838 -0.004709\n0.576713 5.165694 0.004709\n-2.297271 2.578899 8.829632\nAl Si O\n4 4 14\ndirect\n0.375746 0.272066 0.978802 Al\n0.272066 0.375746 0.521198 Al\n0.727934 0.624253 0.478802 Al\n0.624253 0.727933 0.021198 Al\n0.191901 0.802900 0.704425 Si\n0.197099 0.808098 0.204425 Si\n0.802900 0.191900 0.795575 Si\n0.808099 0.197099 0.295575 Si\n0.933495 0.933495 0.750000 O\n0.684841 0.972464 0.394854 O\n0.583382 0.379527 0.133946 O\n0.408366 0.912591 0.105412 O\n0.620473 0.416618 0.633946 O\n0.379527 0.583381 0.366054 O\n0.066504 0.066504 0.250000 O\n0.416618 0.620472 0.866054 O\n0.315159 0.027535 0.605146 O\n0.912591 0.408366 0.394588 O\n0.087408 0.591633 0.605411 O\n0.027535 0.315159 0.894853 O\n0.591633 0.087408 0.894588 O\n0.972464 0.684840 0.105146 O\n",
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}