{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0 0 0 ] [ 0.25 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.375 0.125 0.875 ] [ 0.625 0.875 0.875 ] [ 0.375 0.875 0.125 ] [ 0.625 0.125 0.125 ] [ 0.375 0.625 0.375 ] [ 0.625 0.375 0.375 ] [ 0.375 0.375 0.625 ] [ 0.625 0.625 0.625 ] [ 0.875 0.125 0.375 ] [ 0.125 0.875 0.375 ] [ 0.875 0.875 0.625 ] [ 0.125 0.125 0.625 ] [ 0.875 0.625 0.875 ] [ 0.125 0.375 0.875 ] [ 0.875 0.375 0.125 ] [ 0.125 0.625 0.125 ] [ 0.634737 0.865263 0.634737 ] [ 0.615263 0.115263 0.884737 ] [ 0.865263 0.865263 0.865263 ] [ 0.865263 0.634737 0.634737 ] [ 0.384737 0.115263 0.115263 ] [ 0.384737 0.884737 0.884737 ] [ 0.634737 0.634737 0.865263 ] [ 0.615263 0.884737 0.115263 ] [ 0.634737 0.365263 0.134737 ] [ 0.615263 0.615263 0.384737 ] [ 0.865263 0.365263 0.365263 ] [ 0.865263 0.134737 0.134737 ] [ 0.384737 0.615263 0.615263 ] [ 0.384737 0.384737 0.384737 ] [ 0.634737 0.134737 0.365263 ] [ 0.615263 0.384737 0.615263 ] [ 0.134737 0.865263 0.134737 ] [ 0.115263 0.115263 0.384737 ] [ 0.365263 0.865263 0.365263 ] [ 0.365263 0.634737 0.134737 ] [ 0.884737 0.115263 0.615263 ] [ 0.884737 0.884737 0.384737 ] [ 0.134737 0.634737 0.365263 ] [ 0.115263 0.884737 0.615263 ] [ 0.134737 0.365263 0.634737 ] [ 0.115263 0.615263 0.884737 ] [ 0.365263 0.365263 0.865263 ] [ 0.365263 0.134737 0.634737 ] [ 0.884737 0.615263 0.115263 ] [ 0.884737 0.384737 0.884737 ] [ 0.134737 0.134737 0.865263 ] [ 0.115263 0.384737 0.115263 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.56512848 "source-unit" "angstrom" } }