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{
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{
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"structure_string": "Li9 Ti6 Mn15 O36\n1.0\n5.142239 0.000000 0.000000\n-2.490232 4.633531 0.000000\n-0.583343 -0.518381 29.803762\nLi Ti Mn O\n9 6 15 36\ndirect\n0.814271 0.158628 0.495624 Li\n0.843752 0.168968 0.002495 Li\n0.498478 0.153823 0.828695 Li\n0.503747 0.166753 0.336462 Li\n0.168265 0.162931 0.162811 Li\n0.833300 0.841680 0.083784 Li\n0.491138 0.842625 0.671110 Li\n0.498283 0.835967 0.416814 Li\n0.148963 0.828338 0.751174 Li\n0.848756 0.494304 0.918603 Ti\n0.820678 0.506927 0.414875 Ti\n0.471564 0.491409 0.747814 Ti\n0.508422 0.493833 0.251567 Ti\n0.194684 0.515568 0.585053 Ti\n0.157185 0.506142 0.081758 Ti\n0.813936 0.148613 0.751950 Mn\n0.831303 0.158917 0.248844 Mn\n0.515701 0.175057 0.582338 Mn\n0.483406 0.150291 0.083981 Mn\n0.172316 0.158146 0.914915 Mn\n0.145040 0.149578 0.418181 Mn\n0.843617 0.517001 0.670150 Mn\n0.831770 0.516772 0.163668 Mn\n0.515314 0.516966 0.003523 Mn\n0.494107 0.508645 0.497139 Mn\n0.857713 0.852363 0.581581 Mn\n0.179656 0.514006 0.336872 Mn\n0.160604 0.512787 0.830538 Mn\n0.516059 0.833055 0.915593 Mn\n0.175664 0.835453 0.249209 Mn\n0.849924 0.212589 0.618893 O\n0.843517 0.214101 0.121925 O\n0.859924 0.232239 0.873874 O\n0.850659 0.201135 0.379528 O\n0.552482 0.180876 0.951261 O\n0.505805 0.215078 0.455881 O\n0.523266 0.187583 0.713570 O\n0.513868 0.227443 0.208247 O\n0.825706 0.464809 0.546486 O\n0.829101 0.462841 0.044710 O\n0.792271 0.445977 0.786975 O\n0.820607 0.497529 0.288197 O\n0.169061 0.207838 0.788760 O\n0.212585 0.186138 0.285722 O\n0.209478 0.212040 0.545554 O\n0.188827 0.201676 0.045881 O\n0.520511 0.517099 0.881387 O\n0.499473 0.470177 0.378005 O\n0.461085 0.446474 0.119882 O\n0.505539 0.527605 0.622225 O\n0.817880 0.814358 0.952839 O\n0.180365 0.506266 0.711207 O\n0.796116 0.796294 0.456552 O\n0.849792 0.816631 0.212045 O\n0.179208 0.517244 0.214390 O\n0.791438 0.812880 0.716894 O\n0.120817 0.439532 0.454208 O\n0.158887 0.494943 0.955132 O\n0.477399 0.815559 0.286371 O\n0.457006 0.789129 0.790930 O\n0.484677 0.794668 0.541679 O\n0.483696 0.821166 0.050240 O\n0.206651 0.841535 0.618183 O\n0.190296 0.814229 0.878457 O\n0.139438 0.804737 0.121895 O\n0.149944 0.821144 0.384230 O\n",
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{
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{
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{
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"structure_string": "K4 Hf24 C4 Cl60\n1.0\n9.739911 0.000000 0.000000\n0.000000 13.941390 0.000000\n0.000000 0.000000 18.577338\nK Hf C Cl\n4 24 4 60\ndirect\n0.830688 0.247420 0.750000 K\n0.169312 0.752580 0.250000 K\n0.830688 0.752580 0.750000 K\n0.169312 0.247420 0.250000 K\n0.115421 0.500000 0.750000 Hf\n0.884579 0.500000 0.250000 Hf\n0.080442 0.000000 0.112498 Hf\n0.919558 0.000000 0.887502 Hf\n0.080442 0.000000 0.387502 Hf\n0.919558 0.000000 0.612498 Hf\n0.342277 0.384968 0.663442 Hf\n0.657723 0.615032 0.336558 Hf\n0.342277 0.615032 0.836558 Hf\n0.657723 0.384968 0.336558 Hf\n0.657723 0.384968 0.163442 Hf\n0.342277 0.615032 0.663442 Hf\n0.657723 0.615032 0.163442 Hf\n0.342277 0.384968 0.836558 Hf\n0.571435 0.500000 0.750000 Hf\n0.428565 0.500000 0.250000 Hf\n0.155342 0.114722 0.529459 Hf\n0.844658 0.885278 0.470541 Hf\n0.155342 0.885278 0.970541 Hf\n0.844658 0.114722 0.470541 Hf\n0.844658 0.114722 0.029459 Hf\n0.155342 0.885278 0.529459 Hf\n0.844658 0.885278 0.029459 Hf\n0.155342 0.114722 0.970541 Hf\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.343840 0.500000 0.750000 C\n0.656160 0.500000 0.250000 C\n0.816639 0.000000 0.750000 Cl\n0.183361 0.000000 0.250000 Cl\n0.842545 0.500000 0.750000 Cl\n0.157455 0.500000 0.250000 Cl\n0.341996 0.500000 0.559458 Cl\n0.658004 0.500000 0.440542 Cl\n0.341996 0.500000 0.940542 Cl\n0.658004 0.500000 0.059458 Cl\n0.000000 0.252738 0.500000 Cl\n0.000000 0.747262 0.500000 Cl\n0.000000 0.747262 0.000000 Cl\n0.000000 0.252738 0.000000 Cl\n0.350015 0.246561 0.750000 Cl\n0.649985 0.753439 0.250000 Cl\n0.350015 0.753439 0.750000 Cl\n0.649985 0.246561 0.250000 Cl\n0.338693 0.249350 0.562980 Cl\n0.661307 0.750650 0.437020 Cl\n0.338693 0.750650 0.937020 Cl\n0.661307 0.249350 0.437020 Cl\n0.661307 0.249350 0.062980 Cl\n0.338693 0.750650 0.562980 Cl\n0.661307 0.750650 0.062980 Cl\n0.338693 0.249350 0.937020 Cl\n0.081424 0.124760 0.658782 Cl\n0.918576 0.875240 0.341218 Cl\n0.081424 0.875240 0.841218 Cl\n0.918576 0.124760 0.341218 Cl\n0.918576 0.124760 0.158782 Cl\n0.081424 0.875240 0.658782 Cl\n0.918576 0.875240 0.158782 Cl\n0.081424 0.124760 0.841218 Cl\n0.084532 0.374713 0.655076 Cl\n0.915468 0.625287 0.344924 Cl\n0.084532 0.625287 0.844924 Cl\n0.915468 0.374713 0.344924 Cl\n0.915468 0.374713 0.155076 Cl\n0.084532 0.625287 0.655076 Cl\n0.915468 0.625287 0.155076 Cl\n0.084532 0.374713 0.844924 Cl\n0.341603 0.000000 0.565679 Cl\n0.658397 0.000000 0.434321 Cl\n0.341603 0.000000 0.934321 Cl\n0.658397 0.000000 0.065679 Cl\n0.601029 0.373797 0.653658 Cl\n0.398971 0.626203 0.346342 Cl\n0.601029 0.626203 0.846342 Cl\n0.398971 0.373797 0.346342 Cl\n0.398971 0.373797 0.153658 Cl\n0.601029 0.626203 0.653658 Cl\n0.398971 0.626203 0.153658 Cl\n0.601029 0.373797 0.846342 Cl\n0.261243 0.127082 0.094840 Cl\n0.738757 0.872918 0.905160 Cl\n0.261243 0.872918 0.405160 Cl\n0.738757 0.127082 0.905160 Cl\n0.738757 0.127082 0.594840 Cl\n0.261243 0.872918 0.094840 Cl\n0.738757 0.872918 0.594840 Cl\n0.261243 0.127082 0.405160 Cl\n",
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{
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