{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.144967 0.701911 ] [ 0 0.855033 0.201911 ] [ 0.5 0.089635 0.980081 ] [ 0 0.63318 0.851008 ] [ 0 0.36682 0.351008 ] [ 0.5 0.910365 0.480081 ] ] } "species" { "source-value" [ "Ca" "Ca" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.53250171 "source-unit" "angstrom" } "b" { "source-value" 4.16743881 "source-unit" "angstrom" } "c" { "source-value" 5.97777773 "source-unit" "angstrom" } }