{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fddd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0 0.330915 0 ] [ 0.75 0.419085 0.25 ] [ 0.75 0.080915 0.25 ] [ 0 0.669085 0 ] [ 0 0.830915 0.5 ] [ 0.75 0.919085 0.75 ] [ 0.75 0.580915 0.75 ] [ 0 0.169085 0.5 ] [ 0.5 0.830915 0 ] [ 0.25 0.919085 0.25 ] [ 0.25 0.580915 0.25 ] [ 0.5 0.169085 0 ] [ 0.5 0.330915 0.5 ] [ 0.25 0.419085 0.75 ] [ 0.25 0.080915 0.75 ] [ 0.5 0.669085 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08345729215 "source-unit" "angstrom" } "b" { "source-value" 8.67686080436 "source-unit" "angstrom" } "c" { "source-value" 8.82618845792 "source-unit" "angstrom" } }