{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.805008 0.805008 0.194992 ] [ 0.194992 0.805008 0.805008 ] [ 0.194992 0.194992 0.194992 ] [ 0.805008 0.194992 0.805008 ] [ 0.305008 0.305008 0.694992 ] [ 0.694992 0.305008 0.305008 ] [ 0.694992 0.694992 0.694992 ] [ 0.305008 0.694992 0.305008 ] [ 0.122697 0.877303 0.122697 ] [ 0.877303 0.122697 0.122697 ] [ 0.122697 0.122697 0.877303 ] [ 0.877303 0.877303 0.877303 ] [ 0.622697 0.377303 0.622697 ] [ 0.377303 0.622697 0.622697 ] [ 0.622697 0.622697 0.377303 ] [ 0.377303 0.377303 0.377303 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "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" 7.39693378414 "source-unit" "angstrom" } }