{ "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" [ [ 0.66173 0.050177 0.35831 ] [ 0.33827 0.949823 0.64169 ] [ 0.16173 0.449823 0.85831 ] [ 0.83827 0.550177 0.14169 ] [ 0.617069 0.246766 0.778238 ] [ 0.882931 0.746766 0.721762 ] [ 0 0 0 ] [ 0.117069 0.253234 0.278238 ] [ 0.382931 0.753234 0.221762 ] [ 0.5 0.5 0.5 ] [ 0.805992 0.329825 0.474356 ] [ 0.305992 0.170175 0.974356 ] [ 0.694008 0.829825 0.025644 ] [ 0.194008 0.670175 0.525644 ] [ 0.126159 0.687434 0.982772 ] [ 0.987268 0.091121 0.247478 ] [ 0.737432 0.083907 0.794058 ] [ 0.012732 0.908879 0.752522 ] [ 0.262568 0.916093 0.205942 ] [ 0.762568 0.583907 0.705942 ] [ 0.512732 0.591121 0.252522 ] [ 0.487268 0.408879 0.747478 ] [ 0.626159 0.812566 0.482772 ] [ 0.237432 0.416093 0.294058 ] [ 0.373841 0.187434 0.517228 ] [ 0.873841 0.312566 0.017228 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "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" 6.65914879217 "source-unit" "angstrom" } "b" { "source-value" 11.4518567 "source-unit" "angstrom" } "c" { "source-value" 6.8835209554 "source-unit" "angstrom" } "beta" { "source-value" 111.723213357 "source-unit" "degree" } }