{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.343949 0 0.25 ] [ 0.656051 0 0.75 ] [ 0.843949 0.5 0.25 ] [ 0.156051 0.5 0.75 ] [ 0.278465 0.187546 0.75 ] [ 0.278465 0.812454 0.75 ] [ 0.721535 0.812454 0.25 ] [ 0.04981 0 0.75 ] [ 0.95019 0 0.25 ] [ 0.721535 0.187546 0.25 ] [ 0.778465 0.687546 0.75 ] [ 0.778465 0.312454 0.75 ] [ 0.221535 0.312454 0.25 ] [ 0.54981 0.5 0.75 ] [ 0.45019 0.5 0.25 ] [ 0.221535 0.687546 0.25 ] [ 0 0.789124 0.5 ] [ 0 0.789124 0 ] [ 0 0.210876 0 ] [ 0 0.210876 0.5 ] [ 0.5 0.289124 0.5 ] [ 0.5 0.289124 0 ] [ 0.5 0.710876 0 ] [ 0.5 0.710876 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8929219057 "source-unit" "angstrom" } "b" { "source-value" 9.78033267529 "source-unit" "angstrom" } "c" { "source-value" 5.16527482 "source-unit" "angstrom" } }