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{
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{
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"created_at": "2022-09-04T14:39:10.034732Z",
"structure_string": "K4 Sn4 Hg6 S16\n1.0\n4.459489 -5.014785 0.000000\n4.459489 5.014785 0.000000\n0.000000 0.000000 20.045983\nK Sn Hg S\n4 4 6 16\ndirect\n0.859589 0.447103 0.882282 K\n0.447103 0.859589 0.117718 K\n0.359589 0.947103 0.617718 K\n0.947103 0.359589 0.382282 K\n0.375384 0.948710 0.863965 Sn\n0.948710 0.375384 0.136035 Sn\n0.875384 0.448710 0.636035 Sn\n0.448710 0.875384 0.363965 Sn\n0.312725 0.391877 0.752982 Hg\n0.391877 0.312725 0.247018 Hg\n0.812725 0.891877 0.747018 Hg\n0.891877 0.812725 0.252982 Hg\n0.015569 0.015569 0.000000 Hg\n0.515569 0.515569 0.500000 Hg\n0.230558 0.401621 0.632976 S\n0.401621 0.230558 0.367024 S\n0.730558 0.901621 0.867024 S\n0.901621 0.730558 0.132976 S\n0.326679 0.302275 0.871861 S\n0.302275 0.326679 0.128139 S\n0.826679 0.802275 0.628139 S\n0.802275 0.826679 0.371861 S\n0.239758 0.784637 0.967056 S\n0.784637 0.239758 0.032944 S\n0.739758 0.284637 0.532944 S\n0.284637 0.739758 0.467056 S\n0.220985 0.795860 0.767123 S\n0.795860 0.220985 0.232877 S\n0.295860 0.720985 0.267123 S\n0.720985 0.295860 0.732877 S\n",
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{
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{
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"structure_string": "Li22 Ge12\n1.0\n2.159613 -12.436547 0.000000\n2.159613 12.436547 0.000000\n0.000000 0.000000 10.621239\nLi Ge\n22 12\ndirect\n0.820154 0.179846 0.880252 Li\n0.179846 0.820154 0.119748 Li\n0.179846 0.820154 0.380252 Li\n0.820154 0.179846 0.619748 Li\n0.090536 0.909464 0.000706 Li\n0.909464 0.090536 0.999294 Li\n0.909464 0.090536 0.500706 Li\n0.090536 0.909464 0.499294 Li\n0.856697 0.143303 0.250000 Li\n0.143303 0.856697 0.750000 Li\n0.974127 0.025873 0.250000 Li\n0.025873 0.974127 0.750000 Li\n0.360545 0.639455 0.750000 Li\n0.639455 0.360545 0.250000 Li\n0.465000 0.535000 0.887405 Li\n0.535000 0.465000 0.112595 Li\n0.535000 0.465000 0.387405 Li\n0.465000 0.535000 0.612595 Li\n0.241731 0.758269 0.605580 Li\n0.758269 0.241731 0.394420 Li\n0.758269 0.241731 0.105580 Li\n0.241731 0.758269 0.894420 Li\n0.080729 0.919271 0.250000 Ge\n0.919271 0.080729 0.750000 Ge\n0.271573 0.728427 0.250000 Ge\n0.728427 0.271573 0.750000 Ge\n0.671149 0.328851 0.552031 Ge\n0.328851 0.671149 0.447969 Ge\n0.328851 0.671149 0.052031 Ge\n0.671149 0.328851 0.947969 Ge\n0.575501 0.424499 0.633983 Ge\n0.424499 0.575501 0.366017 Ge\n0.424499 0.575501 0.133983 Ge\n0.575501 0.424499 0.866017 Ge\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.825611 -0.093843 1.901801\n2.079340 9.792615 -2.239144\n-0.168356 -0.090971 5.942733\nLi Mn Co O\n9 2 5 16\ndirect\n0.498387 0.128012 0.939539 Li\n0.499132 0.379447 0.314011 Li\n0.487786 0.621813 0.679613 Li\n0.509685 0.866442 0.049769 Li\n0.500500 0.131283 0.445392 Li\n0.503869 0.376940 0.812756 Li\n0.492331 0.627453 0.198332 Li\n0.500043 0.865892 0.556316 Li\n0.005565 0.745591 0.623516 Li\n0.995027 0.998035 0.993789 Mn\n0.994362 0.997226 0.496515 Mn\n0.995605 0.253198 0.374219 Co\n0.007440 0.500890 0.752031 Co\n0.999155 0.748493 0.125014 Co\n0.001979 0.251113 0.874635 Co\n0.006825 0.504842 0.260560 Co\n0.236429 0.067218 0.738825 O\n0.223424 0.320074 0.116223 O\n0.234930 0.558170 0.489517 O\n0.230923 0.819867 0.869360 O\n0.204246 0.064915 0.214317 O\n0.226050 0.314465 0.610251 O\n0.234208 0.572363 0.000439 O\n0.210137 0.815511 0.327503 O\n0.767509 0.181713 0.133474 O\n0.771221 0.433188 0.511671 O\n0.799707 0.682428 0.926271 O\n0.756741 0.929995 0.253244 O\n0.769274 0.184502 0.633352 O\n0.780436 0.430588 0.007071 O\n0.774318 0.682885 0.383237 O\n0.782755 0.945447 0.789239 O\n",
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"formula_full": "Ca12 Be8 Si12 H8 O48",
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{
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"structure_string": "Ca4 Mo6 O16\n1.0\n3.226366 -5.588230 0.000000\n3.226366 5.588230 0.000000\n0.000000 0.000000 10.367043\nCa Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.027308 Ca\n0.333333 0.666667 0.527308 Ca\n0.666667 0.333333 0.413699 Ca\n0.333333 0.666667 0.913699 Ca\n0.671912 0.835956 0.244487 Mo\n0.835956 0.164044 0.744487 Mo\n0.164044 0.328088 0.244487 Mo\n0.835956 0.671912 0.744487 Mo\n0.328088 0.164044 0.744487 Mo\n0.164044 0.835956 0.244487 Mo\n0.838394 0.161606 0.157504 O\n0.676787 0.838394 0.657504 O\n0.161606 0.323213 0.657504 O\n0.838394 0.676787 0.157504 O\n0.323213 0.161606 0.157504 O\n0.161606 0.838394 0.657504 O\n0.525844 0.474156 0.854513 O\n0.051688 0.525844 0.354513 O\n0.474156 0.948312 0.354513 O\n0.525844 0.051688 0.854513 O\n0.000000 0.000000 0.347466 O\n0.000000 0.000000 0.847466 O\n0.333333 0.666667 0.135518 O\n0.948312 0.474156 0.854513 O\n0.474156 0.525844 0.354513 O\n0.666667 0.333333 0.635518 O\n",
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{
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"structure_string": "Li4 Fe2 Ni3 O10\n1.0\n5.042113 0.000000 0.000000\n-0.822561 5.014876 0.000000\n-2.443855 -2.149529 7.051849\nLi Fe Ni O\n4 2 3 10\ndirect\n0.075666 0.770294 0.586970 Li\n0.699064 0.600266 0.217401 Li\n0.300936 0.399734 0.782599 Li\n0.924334 0.229706 0.413030 Li\n0.302623 0.897051 0.312972 Fe\n0.697377 0.102949 0.687028 Fe\n0.500000 0.000000 0.000000 Ni\n0.099199 0.299913 0.097790 Ni\n0.900801 0.700087 0.902210 Ni\n0.898468 0.941372 0.136929 O\n0.697338 0.888512 0.446942 O\n0.281721 0.670069 0.046161 O\n0.090780 0.542066 0.319925 O\n0.539027 0.776691 0.781321 O\n0.460973 0.223309 0.218679 O\n0.909220 0.457934 0.680075 O\n0.718279 0.329931 0.953839 O\n0.302662 0.111488 0.553058 O\n0.101532 0.058628 0.863071 O\n",
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{
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"created_at": "2022-09-04T14:39:07.325210Z",
"structure_string": "Cr2 Fe3 Sb1 P6 O24\n1.0\n7.405792 -4.333160 0.000000\n7.405792 4.333160 0.000000\n4.870443 0.000000 7.064051\nCr Fe Sb P O\n2 3 1 6 24\ndirect\n0.995822 0.995822 0.995822 Cr\n0.501762 0.501762 0.501762 Cr\n0.853579 0.853579 0.853579 Fe\n0.643724 0.643724 0.643724 Fe\n0.355500 0.355500 0.355500 Fe\n0.143876 0.143876 0.143876 Sb\n0.253508 0.546745 0.950888 P\n0.745636 0.459970 0.049242 P\n0.459970 0.049242 0.745636 P\n0.049242 0.745636 0.459970 P\n0.950888 0.253508 0.546745 P\n0.546745 0.950888 0.253508 P\n0.899533 0.685104 0.485368 O\n0.685104 0.485368 0.899533 O\n0.940662 0.089749 0.739191 O\n0.485368 0.899533 0.685104 O\n0.990375 0.182794 0.388964 O\n0.753229 0.407019 0.556007 O\n0.739191 0.940662 0.089749 O\n0.556007 0.753229 0.407019 O\n0.818783 0.609910 0.008695 O\n0.407019 0.556007 0.753229 O\n0.911429 0.254347 0.068622 O\n0.609910 0.008695 0.818783 O\n0.388964 0.990375 0.182794 O\n0.089749 0.739191 0.940662 O\n0.592975 0.438064 0.252830 O\n0.182794 0.388964 0.990375 O\n0.438064 0.252830 0.592975 O\n0.254347 0.068622 0.911429 O\n0.252830 0.592975 0.438064 O\n0.008695 0.818783 0.609910 O\n0.497034 0.109064 0.319995 O\n0.068622 0.911429 0.254347 O\n0.319995 0.497034 0.109064 O\n0.109064 0.319995 0.497034 O\n",
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}