{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.636052 0.75 ] [ 0 0.363948 0.25 ] [ 0.5 0.136052 0.75 ] [ 0.5 0.863948 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.196052 0.75 ] [ 0 0.803948 0.25 ] [ 0.5 0.696052 0.75 ] [ 0.5 0.303948 0.25 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.95290302 "source-unit" "angstrom" } "b" { "source-value" 8.45502766 "source-unit" "angstrom" } "c" { "source-value" 7.26812624 "source-unit" "angstrom" } }