{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.968458 0 0.712732 ] [ 0.031542 0 0.287268 ] [ 0.149163 0.5 0.017017 ] [ 0.850837 0.5 0.982983 ] [ 0.468458 0.5 0.712732 ] [ 0.531542 0.5 0.287268 ] [ 0.649163 0 0.017017 ] [ 0.350837 0 0.982983 ] [ 0.104263 0.5 0.732295 ] [ 0.833192 0.5 0.6992 ] [ 0.166808 0.5 0.3008 ] [ 0.895737 0.5 0.267705 ] [ 0.604263 0 0.732295 ] [ 0.333192 0 0.6992 ] [ 0.666808 0 0.3008 ] [ 0.395737 0 0.267705 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.5878670276 "source-unit" "angstrom" } "b" { "source-value" 3.79251566 "source-unit" "angstrom" } "c" { "source-value" 8.83547277837 "source-unit" "angstrom" } "beta" { "source-value" 101.512972358 "source-unit" "degree" } }