{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.153102 ] [ 0.5 0.25 0.653102 ] [ 0 0.75 0.846898 ] [ 0.5 0.75 0.346898 ] [ 0.236597 0.421891 0.891424 ] [ 0.736597 0.578109 0.608576 ] [ 0.763403 0.578109 0.108576 ] [ 0.236597 0.921891 0.108576 ] [ 0.736597 0.078109 0.391424 ] [ 0.263403 0.421891 0.391424 ] [ 0.263403 0.921891 0.608576 ] [ 0.763403 0.078109 0.891424 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cl" "Cl" "Cl" "Cl" "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" 6.34015706 "source-unit" "angstrom" } "b" { "source-value" 6.9779895 "source-unit" "angstrom" } "c" { "source-value" 7.71403302 "source-unit" "angstrom" } }