{ "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" [ [ 0.886912 0.946118 0.650539 ] [ 0.886912 0.553882 0.150539 ] [ 0.633739 0.320859 0.747141 ] [ 0.633739 0.179141 0.247141 ] [ 0.366261 0.820859 0.752859 ] [ 0.366261 0.679141 0.252859 ] [ 0.113088 0.446118 0.849461 ] [ 0.113088 0.053882 0.349461 ] [ 0.156412 0.12965 0.994284 ] [ 0.349804 0.628428 0.884854 ] [ 0.156412 0.37035 0.494284 ] [ 0.349804 0.871572 0.384854 ] [ 0.650196 0.128428 0.615146 ] [ 0.843588 0.62965 0.505716 ] [ 0.650196 0.371572 0.115146 ] [ 0.843588 0.87035 0.005716 ] [ 0.108705 0.652862 0.681947 ] [ 0.108705 0.847138 0.181947 ] [ 0.080661 0.873997 0.813083 ] [ 0.080661 0.626003 0.313083 ] [ 0.351016 0.20327 0.102544 ] [ 0.351016 0.29673 0.602544 ] [ 0.255994 0.038274 0.073226 ] [ 0.145265 0.547976 0.93835 ] [ 0.255994 0.461726 0.573226 ] [ 0.145265 0.952024 0.43835 ] [ 0.24686 0.710261 0.012211 ] [ 0.24686 0.789739 0.512211 ] [ 0.421176 0.106779 0.416994 ] [ 0.421176 0.393221 0.916994 ] [ 0.387289 0.128037 0.784696 ] [ 0.612711 0.628037 0.715304 ] [ 0.387289 0.371963 0.284696 ] [ 0.612711 0.871963 0.215304 ] [ 0.578824 0.606779 0.083006 ] [ 0.578824 0.893221 0.583006 ] [ 0.75314 0.210261 0.487789 ] [ 0.75314 0.289739 0.987789 ] [ 0.854735 0.047976 0.56165 ] [ 0.744006 0.538274 0.426774 ] [ 0.854735 0.452024 0.06165 ] [ 0.744006 0.961726 0.926774 ] [ 0.648984 0.70327 0.397456 ] [ 0.648984 0.79673 0.897456 ] [ 0.919339 0.373997 0.686917 ] [ 0.919339 0.126003 0.186917 ] [ 0.891295 0.152862 0.818053 ] [ 0.891295 0.347138 0.318053 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32939019 "source-unit" "angstrom" } "b" { "source-value" 18.32823193 "source-unit" "angstrom" } "c" { "source-value" 7.36962869 "source-unit" "angstrom" } "beta" { "source-value" 91.97112099 "source-unit" "degree" } }