{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.156009 0 ] [ 0.5 0.843991 0 ] [ 0 0.656009 0 ] [ 0 0.343991 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.82708 0.5 ] [ 0 0.17292 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.32708 0.5 ] [ 0.5 0.67292 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9316842728 "source-unit" "angstrom" } "b" { "source-value" 12.1572698693 "source-unit" "angstrom" } "c" { "source-value" 4.00394803 "source-unit" "angstrom" } }