{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.178613 0.75 ] [ 0 0.821387 0.25 ] [ 0.5 0.678613 0.75 ] [ 0.5 0.321387 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.851996 0.75 ] [ 0 0.148004 0.25 ] [ 0.5 0.351996 0.75 ] [ 0.5 0.648004 0.25 ] [ 0 0.254843 0.05659 ] [ 0 0.745157 0.55659 ] [ 0 0.745157 0.94341 ] [ 0 0.254843 0.44341 ] [ 0.240382 0.96271 0.75 ] [ 0.759618 0.03729 0.25 ] [ 0.759618 0.96271 0.75 ] [ 0.240382 0.03729 0.25 ] [ 0.5 0.754843 0.05659 ] [ 0.5 0.245157 0.55659 ] [ 0.5 0.245157 0.94341 ] [ 0.5 0.754843 0.44341 ] [ 0.740382 0.46271 0.75 ] [ 0.259618 0.53729 0.25 ] [ 0.259618 0.46271 0.75 ] [ 0.740382 0.53729 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ca" "Ca" "Ca" "Ca" "V" "V" "V" "V" "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" 5.97752943398 "source-unit" "angstrom" } "b" { "source-value" 9.41861890836 "source-unit" "angstrom" } "c" { "source-value" 7.20486927 "source-unit" "angstrom" } }