{ "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" [ [ 0.5 0.741725 0 ] [ 0.5 0.258275 0 ] [ 0 0.241725 0.5 ] [ 0 0.758275 0.5 ] [ 0.5 0 0.656989 ] [ 0.5 0 0.343011 ] [ 0 0.5 0.156989 ] [ 0 0.5 0.843011 ] [ 0 0.326236 0 ] [ 0.264065 0 0.764311 ] [ 0.264065 0 0.235689 ] [ 0 0.673764 0 ] [ 0.735935 0 0.764311 ] [ 0.735935 0 0.235689 ] [ 0.5 0.826236 0.5 ] [ 0.764065 0.5 0.264311 ] [ 0.764065 0.5 0.735689 ] [ 0.5 0.173764 0.5 ] [ 0.235935 0.5 0.264311 ] [ 0.235935 0.5 0.735689 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.20444573649 "source-unit" "angstrom" } "b" { "source-value" 9.02729830554 "source-unit" "angstrom" } "c" { "source-value" 9.47849460436 "source-unit" "angstrom" } }