{ "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" [ [ 0.5 0 0.706535 ] [ 0.5 0 0.293465 ] [ 0 0.5 0.206535 ] [ 0 0.5 0.793465 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.27636 0 ] [ 0.5 0.72364 0 ] [ 0 0.77636 0.5 ] [ 0 0.22364 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Al" "Al" "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" 4.10199928021 "source-unit" "angstrom" } "b" { "source-value" 5.43872956187 "source-unit" "angstrom" } "c" { "source-value" 8.28935006967 "source-unit" "angstrom" } }