{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.375856 0.058174 ] [ 0.75 0.559277 0.617252 ] [ 0.75 0.196727 0.286034 ] [ 0.25 0.696727 0.213966 ] [ 0.75 0.624144 0.941826 ] [ 0.75 0.875856 0.441826 ] [ 0.25 0.803273 0.713966 ] [ 0.25 0.440723 0.382748 ] [ 0.75 0.303273 0.786034 ] [ 0.25 0.124144 0.558174 ] [ 0.75 0.940723 0.117252 ] [ 0.25 0.059277 0.882748 ] [ 0.25 0.493365 0.801231 ] [ 0.25 0.813844 0.972241 ] [ 0.25 0.686156 0.472241 ] [ 0.75 0.993365 0.698769 ] [ 0.75 0.506635 0.198769 ] [ 0.25 0.006635 0.301231 ] [ 0.75 0.186156 0.027759 ] [ 0.75 0.313844 0.527759 ] [ 0.25 0.133787 0.129018 ] [ 0.75 0.866213 0.870982 ] [ 0.25 0.366213 0.629018 ] [ 0.75 0.633787 0.370982 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.13178031003 "source-unit" "angstrom" } "b" { "source-value" 11.3300508801 "source-unit" "angstrom" } "c" { "source-value" 11.3944219501 "source-unit" "angstrom" } }