{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.875736 ] [ 0 0 0.124264 ] [ 0 0.5 0 ] [ 0.5 0.5 0.375736 ] [ 0.5 0.5 0.624264 ] [ 0.5 0 0.5 ] [ 0.5 0.691941 0.830405 ] [ 0.5 0.691941 0.169595 ] [ 0.5 0.308059 0.830405 ] [ 0.5 0.308059 0.169595 ] [ 0 0.191941 0.330405 ] [ 0 0.191941 0.669595 ] [ 0 0.808059 0.330405 ] [ 0 0.808059 0.669595 ] [ 0.5 0.809306 0 ] [ 0.5 0.190694 0 ] [ 0 0.5 0.783994 ] [ 0 0.5 0.216006 ] [ 0 0.309306 0.5 ] [ 0 0.690694 0.5 ] [ 0.5 0 0.283994 ] [ 0.5 0 0.716006 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94587789412 "source-unit" "angstrom" } "b" { "source-value" 6.4162074734 "source-unit" "angstrom" } "c" { "source-value" 13.1320530446 "source-unit" "angstrom" } }