{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.130917 0.594068 0.809793 ] [ 0.869083 0.594068 0.690207 ] [ 0.869083 0.405932 0.190207 ] [ 0.130917 0.405932 0.309793 ] [ 0.148979 0.838866 0.156125 ] [ 0.351021 0.338866 0.343875 ] [ 0.851021 0.161134 0.843875 ] [ 0.648979 0.661134 0.656125 ] [ 0.630917 0.094068 0.809793 ] [ 0.369083 0.094068 0.690207 ] [ 0.369083 0.905932 0.190207 ] [ 0.630917 0.905932 0.309793 ] [ 0.648979 0.338866 0.156125 ] [ 0.851021 0.838866 0.343875 ] [ 0.351021 0.661134 0.843875 ] [ 0.148979 0.161134 0.656125 ] [ 0.901939 0.037922 0.661593 ] [ 0.098061 0.037922 0.838407 ] [ 0.098061 0.962078 0.338407 ] [ 0.901939 0.962078 0.161593 ] [ 0.938439 0.29259 0.564041 ] [ 0.061561 0.29259 0.935959 ] [ 0.061561 0.70741 0.435959 ] [ 0.938439 0.70741 0.064041 ] [ 0.401939 0.537922 0.661593 ] [ 0.598061 0.537922 0.838407 ] [ 0.598061 0.462078 0.338407 ] [ 0.401939 0.462078 0.161593 ] [ 0.438439 0.79259 0.564041 ] [ 0.561561 0.79259 0.935959 ] [ 0.561561 0.20741 0.435959 ] [ 0.438439 0.20741 0.064041 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.4655624789 "source-unit" "angstrom" } "b" { "source-value" 6.58008200218 "source-unit" "angstrom" } "c" { "source-value" 11.0645577315 "source-unit" "angstrom" } "beta" { "source-value" 146.87186563 "source-unit" "degree" } }