{ "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" [ [ 0.5 0.916642 0.75 ] [ 0 0.786867 0.75 ] [ 0.5 0.083358 0.25 ] [ 0 0.213133 0.25 ] [ 0 0.416642 0.75 ] [ 0.5 0.286867 0.75 ] [ 0 0.583358 0.25 ] [ 0.5 0.713133 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.170081 0.100353 0.75 ] [ 0.170081 0.899647 0.25 ] [ 0.829919 0.899647 0.25 ] [ 0.829919 0.100353 0.75 ] [ 0.670081 0.600353 0.75 ] [ 0.670081 0.399647 0.25 ] [ 0.329919 0.399647 0.25 ] [ 0.329919 0.600353 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.4211622 "source-unit" "angstrom" } "b" { "source-value" 13.82717027 "source-unit" "angstrom" } "c" { "source-value" 5.61145707 "source-unit" "angstrom" } }