{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.78209 0.175124 ] [ 0.5 0.21791 0.824876 ] [ 0 0.71791 0.675124 ] [ 0 0.28209 0.324876 ] ] } "species" { "source-value" [ "Ca" "Ca" "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" 4.20803631 "source-unit" "angstrom" } "b" { "source-value" 6.34927122 "source-unit" "angstrom" } "c" { "source-value" 6.50550723 "source-unit" "angstrom" } }