{ "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 0.045143 0.75 ] [ 0 0.954857 0.25 ] [ 0.5 0.873066 0.542437 ] [ 0.5 0.126934 0.457563 ] [ 0.5 0.126934 0.042437 ] [ 0.5 0.873066 0.957563 ] [ 0.5 0.545143 0.75 ] [ 0.5 0.454857 0.25 ] [ 0 0.373066 0.542437 ] [ 0 0.626934 0.457563 ] [ 0 0.626934 0.042437 ] [ 0 0.373066 0.957563 ] [ 0.5 0.752314 0.25 ] [ 0.5 0.247686 0.75 ] [ 0 0.252314 0.25 ] [ 0 0.747686 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Al" "Al" "Al" "Al" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.38634875 "source-unit" "angstrom" } "b" { "source-value" 11.57076186 "source-unit" "angstrom" } "c" { "source-value" 9.03158651 "source-unit" "angstrom" } }