{ "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" [ [ 0.5 0.872672 0.75 ] [ 0.5 0.127328 0.25 ] [ 0 0.372672 0.75 ] [ 0 0.627328 0.25 ] [ 0 0.106008 0.75 ] [ 0 0.893992 0.25 ] [ 0.5 0.606008 0.75 ] [ 0.5 0.393992 0.25 ] [ 0.5 0.193698 0.75 ] [ 0.5 0.806302 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.693698 0.75 ] [ 0 0.306302 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Li" "Li" "Li" "Li" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41820121 "source-unit" "angstrom" } "b" { "source-value" 15.35118073 "source-unit" "angstrom" } "c" { "source-value" 7.78822634 "source-unit" "angstrom" } }