{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.987078 0.331456 ] [ 0.75 0.012922 0.668544 ] [ 0.25 0.487078 0.168544 ] [ 0.75 0.512922 0.831456 ] [ 0.25 0.339176 0.572257 ] [ 0.75 0.660824 0.427743 ] [ 0.25 0.839176 0.927743 ] [ 0.75 0.160824 0.072257 ] [ 0.25 0.668721 0.646662 ] [ 0.75 0.331279 0.353338 ] [ 0.25 0.168721 0.853338 ] [ 0.75 0.831279 0.146662 ] [ 0.25 0.789423 0.590672 ] [ 0.75 0.210577 0.409328 ] [ 0.25 0.289423 0.909328 ] [ 0.75 0.710577 0.090672 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.8006493 "source-unit" "angstrom" } "b" { "source-value" 9.47494895 "source-unit" "angstrom" } "c" { "source-value" 9.8547496 "source-unit" "angstrom" } }