{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.300195 0.817979 ] [ 0.699805 0.817979 0 ] [ 0.182021 0 0.300195 ] [ 0.699805 0.182021 0 ] [ 0.817979 0 0.699805 ] [ 0.300195 0.182021 0 ] [ 0.182021 0 0.699805 ] [ 0.817979 0 0.300195 ] [ 0.300195 0.817979 0 ] [ 0 0.699805 0.817979 ] [ 0 0.300195 0.182021 ] [ 0 0.699805 0.182021 ] [ 0.5 0.800195 0.317979 ] [ 0.199805 0.317979 0.5 ] [ 0.682021 0.5 0.800195 ] [ 0.199805 0.682021 0.5 ] [ 0.317979 0.5 0.199805 ] [ 0.800195 0.682021 0.5 ] [ 0.682021 0.5 0.199805 ] [ 0.317979 0.5 0.800195 ] [ 0.800195 0.317979 0.5 ] [ 0.5 0.199805 0.317979 ] [ 0.5 0.800195 0.682021 ] [ 0.5 0.199805 0.682021 ] ] } "species" { "source-value" [ "Ca" "Ca" "V" "V" "V" "V" "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 7.37953955974 "source-unit" "angstrom" } }