{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.426972 0.5 ] [ 0 0.573028 0 ] [ 0 0.3686 0 ] [ 0.5 0.6314 0.5 ] [ 0.5 0.144844 0.5 ] [ 0 0.855156 0 ] ] } "species" { "source-value" [ "C" "C" "N" "N" "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" 4.23870963 "source-unit" "angstrom" } "b" { "source-value" 5.72755594 "source-unit" "angstrom" } "c" { "source-value" 5.95915994 "source-unit" "angstrom" } }