{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.563136 0.363307 0.068966 ] [ 0.063136 0.136693 0.068966 ] [ 0.57444 0.866033 0.122487 ] [ 0.07444 0.633967 0.122487 ] [ 0.697683 0.107662 0.217604 ] [ 0.197683 0.392338 0.217604 ] [ 0.524258 0.33162 0.34166 ] [ 0.024258 0.16838 0.34166 ] [ 0.56124 0.902029 0.398453 ] [ 0.06124 0.597971 0.398453 ] [ 0.93876 0.402029 0.601547 ] [ 0.43876 0.097971 0.601547 ] [ 0.975742 0.83162 0.65834 ] [ 0.475742 0.66838 0.65834 ] [ 0.802317 0.607662 0.782396 ] [ 0.302317 0.892338 0.782396 ] [ 0.92556 0.366033 0.877513 ] [ 0.42556 0.133967 0.877513 ] [ 0.936864 0.863307 0.931034 ] [ 0.436864 0.636693 0.931034 ] [ 0.726863 0.605846 0.270777 ] [ 0.226863 0.894154 0.270777 ] [ 0.773137 0.105846 0.729223 ] [ 0.273137 0.394154 0.729223 ] [ 0.755697 0.612779 0.020814 ] [ 0.255697 0.887221 0.020814 ] [ 0.863753 0.362087 0.204321 ] [ 0.363753 0.137913 0.204321 ] [ 0.879371 0.868497 0.286309 ] [ 0.379371 0.631503 0.286309 ] [ 0.736282 0.153657 0.485953 ] [ 0.236282 0.346343 0.485953 ] [ 0.763718 0.653657 0.514047 ] [ 0.263718 0.846343 0.514047 ] [ 0.620629 0.368497 0.713691 ] [ 0.120629 0.131503 0.713691 ] [ 0.636247 0.862087 0.795679 ] [ 0.136247 0.637913 0.795679 ] [ 0.744303 0.112779 0.979186 ] [ 0.244303 0.387221 0.979186 ] [ 0.61664 0.177085 0.004607 ] [ 0.11664 0.322915 0.004607 ] [ 0.794043 0.003463 0.034024 ] [ 0.294043 0.496537 0.034024 ] [ 0.663311 0.664208 0.108824 ] [ 0.163311 0.835792 0.108824 ] [ 0.901531 0.232616 0.19591 ] [ 0.401531 0.267384 0.19591 ] [ 0.964672 0.462782 0.202397 ] [ 0.464672 0.037218 0.202397 ] [ 0.7129 0.394691 0.218032 ] [ 0.2129 0.105309 0.218032 ] [ 0.733924 0.906973 0.280266 ] [ 0.915988 0.736598 0.271838 ] [ 0.233924 0.593027 0.280266 ] [ 0.415988 0.763402 0.271838 ] [ 0.993471 0.955834 0.306146 ] [ 0.493471 0.544166 0.306146 ] [ 0.64782 0.16116 0.391941 ] [ 0.14782 0.33884 0.391941 ] [ 0.812225 0.560577 0.431158 ] [ 0.312225 0.939423 0.431158 ] [ 0.637436 0.723577 0.49326 ] [ 0.137436 0.776423 0.49326 ] [ 0.862564 0.223577 0.50674 ] [ 0.362564 0.276423 0.50674 ] [ 0.687775 0.060577 0.568842 ] [ 0.187775 0.439423 0.568842 ] [ 0.85218 0.66116 0.608059 ] [ 0.35218 0.83884 0.608059 ] [ 0.506529 0.455834 0.693854 ] [ 0.006529 0.044166 0.693854 ] [ 0.584012 0.236598 0.728162 ] [ 0.766076 0.406973 0.719734 ] [ 0.084012 0.263402 0.728162 ] [ 0.266076 0.093027 0.719734 ] [ 0.7871 0.894691 0.781968 ] [ 0.2871 0.605309 0.781968 ] [ 0.535328 0.962782 0.797603 ] [ 0.035328 0.537218 0.797603 ] [ 0.598469 0.732616 0.80409 ] [ 0.098469 0.767384 0.80409 ] [ 0.836689 0.164208 0.891176 ] [ 0.336689 0.335792 0.891176 ] [ 0.705957 0.503463 0.965976 ] [ 0.205957 0.996537 0.965976 ] [ 0.88336 0.677085 0.995393 ] [ 0.38336 0.822915 0.995393 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39933646 "source-unit" "angstrom" } "b" { "source-value" 9.59703151 "source-unit" "angstrom" } "c" { "source-value" 11.14218152 "source-unit" "angstrom" } "beta" { "source-value" 91.27431227 "source-unit" "degree" } }