{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.254967 0 0 ] [ 0 0.254967 0 ] [ 0 0.745033 0 ] [ 0 0 0.745033 ] [ 0 0 0.254967 ] [ 0.745033 0 0 ] [ 0.754967 0.5 0.5 ] [ 0.5 0.754967 0.5 ] [ 0.5 0.245033 0.5 ] [ 0.5 0.5 0.245033 ] [ 0.5 0.5 0.754967 ] [ 0.245033 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0.847013 0.847013 ] [ 0.652987 0 0.347013 ] [ 0.847013 0.5 0.847013 ] [ 0.847013 0.847013 0.5 ] [ 0.652987 0.347013 0 ] [ 0 0.652987 0.347013 ] [ 0 0.347013 0.652987 ] [ 0.152987 0.152987 0.5 ] [ 0.347013 0 0.652987 ] [ 0.347013 0.652987 0 ] [ 0.152987 0.5 0.152987 ] [ 0.5 0.152987 0.152987 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0.347013 0.347013 ] [ 0.152987 0.5 0.847013 ] [ 0.347013 0 0.347013 ] [ 0.347013 0.347013 0 ] [ 0.152987 0.847013 0.5 ] [ 0.5 0.152987 0.847013 ] [ 0.5 0.847013 0.152987 ] [ 0.652987 0.652987 0 ] [ 0.847013 0.5 0.152987 ] [ 0.847013 0.152987 0.5 ] [ 0.652987 0 0.652987 ] [ 0 0.652987 0.652987 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 9.89684926839 "source-unit" "angstrom" } }