{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.278 0.583901 0.960177 ] [ 0.222 0.083901 0.039823 ] [ 0.722 0.416099 0.039823 ] [ 0.778 0.916099 0.960177 ] [ 0.135788 0.654238 0.172405 ] [ 0.364212 0.154238 0.827595 ] [ 0.864212 0.345762 0.827595 ] [ 0.635788 0.845762 0.172405 ] [ 0.939554 0.9953 0.754939 ] [ 0.560446 0.4953 0.245061 ] [ 0.060446 0.0047 0.245061 ] [ 0.439554 0.5047 0.754939 ] [ 0.51524 0.835071 0.677376 ] [ 0.98476 0.335071 0.322624 ] [ 0.48476 0.164929 0.322624 ] [ 0.01524 0.664929 0.677376 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Cl" "Cl" "Cl" "Cl" "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" 6.92981292826 "source-unit" "angstrom" } "b" { "source-value" 11.90990291 "source-unit" "angstrom" } "c" { "source-value" 7.11072076597 "source-unit" "angstrom" } "beta" { "source-value" 115.098610552 "source-unit" "degree" } }