{ "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 0.540673 0.819482 ] [ 0.75 0.959327 0.319482 ] [ 0.75 0.459327 0.180518 ] [ 0.25 0.040673 0.680518 ] [ 0.75 0.357615 0.559647 ] [ 0.25 0.642385 0.440353 ] [ 0.25 0.142385 0.059647 ] [ 0.75 0.857615 0.940353 ] [ 0.25 0.751344 0.129766 ] [ 0.25 0.251344 0.370234 ] [ 0.75 0.248656 0.870234 ] [ 0.75 0.748656 0.629766 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "Cd" "Cd" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44506749 "source-unit" "angstrom" } "b" { "source-value" 7.4295395 "source-unit" "angstrom" } "c" { "source-value" 8.87654841 "source-unit" "angstrom" } }