{ "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 0.755025 ] [ 0 0 0.244975 ] [ 0.5 0.5 0.255025 ] [ 0.5 0.5 0.744975 ] [ 0 0.616293 0 ] [ 0 0.383707 0 ] [ 0.5 0.116293 0.5 ] [ 0.5 0.883707 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17640126315 "source-unit" "angstrom" } "b" { "source-value" 5.43440145297 "source-unit" "angstrom" } "c" { "source-value" 6.37673667233 "source-unit" "angstrom" } }