{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.991182 0.792122 0.573937 ] [ 0.491182 0.707878 0.573937 ] [ 0.493342 0.218349 0.191309 ] [ 0.506658 0.281651 0.691309 ] [ 0.491182 0.207878 0.926063 ] [ 0.506658 0.781651 0.808691 ] [ 0.006658 0.718349 0.808691 ] [ 0.991182 0.292122 0.926063 ] [ 0.008818 0.707878 0.073937 ] [ 0.993342 0.281651 0.191309 ] [ 0.508818 0.292122 0.426063 ] [ 0.508818 0.792122 0.073937 ] [ 0.993342 0.781651 0.308691 ] [ 0.493342 0.718349 0.308691 ] [ 0.006658 0.218349 0.691309 ] [ 0.008818 0.207878 0.426063 ] [ 0.70228 0.407094 0.059819 ] [ 0.79772 0.907094 0.940181 ] [ 0.79772 0.407094 0.559819 ] [ 0.70228 0.907094 0.440181 ] [ 0.20228 0.092906 0.059819 ] [ 0.29772 0.092906 0.559819 ] [ 0.29772 0.592906 0.940181 ] [ 0.20228 0.592906 0.440181 ] [ 0.292386 0.06691 0.316444 ] [ 0.707614 0.43309 0.816444 ] [ 0.792386 0.43309 0.316444 ] [ 0.792386 0.93309 0.183556 ] [ 0.207614 0.56691 0.683556 ] [ 0.292386 0.56691 0.183556 ] [ 0.207614 0.06691 0.816444 ] [ 0.707614 0.93309 0.683556 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 5.01047145 "source-unit" "angstrom" } "b" { "source-value" 6.00461824 "source-unit" "angstrom" } "c" { "source-value" 14.07701043 "source-unit" "angstrom" } }