{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.894072 0.93137 ] [ 0 0.105928 0.06863 ] [ 0.5 0.105928 0.43137 ] [ 0.5 0.894072 0.56863 ] [ 0.5 0.394072 0.93137 ] [ 0.5 0.605928 0.06863 ] [ 0 0.605928 0.43137 ] [ 0 0.394072 0.56863 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.70651917293 "source-unit" "angstrom" } "b" { "source-value" 11.4412051462 "source-unit" "angstrom" } "c" { "source-value" 4.68642671 "source-unit" "angstrom" } }