{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.838238 ] [ 0.75 0 0.661762 ] [ 0.75 0.5 0.161762 ] [ 0.25 0 0.338238 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.5 0.644227 ] [ 0.25 0 0.855773 ] [ 0.25 0.5 0.355773 ] [ 0.75 0 0.144227 ] [ 0.674899 0.759277 0.914049 ] [ 0.174899 0.740723 0.585951 ] [ 0.325101 0.259277 0.585951 ] [ 0.825101 0.240723 0.914049 ] [ 0.174899 0.759277 0.085951 ] [ 0.674899 0.740723 0.414049 ] [ 0.825101 0.259277 0.414049 ] [ 0.325101 0.240723 0.085951 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.41335957 "source-unit" "angstrom" } "b" { "source-value" 7.15319559 "source-unit" "angstrom" } "c" { "source-value" 11.9467941 "source-unit" "angstrom" } }