{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.662723 0.174933 0.436283 ] [ 0.162723 0.325067 0.563717 ] [ 0.837277 0.674933 0.063717 ] [ 0.337277 0.825067 0.936283 ] [ 0.143527 0.036497 0.25 ] [ 0.643527 0.463503 0.75 ] [ 0.356473 0.536497 0.25 ] [ 0.856473 0.963503 0.75 ] [ 0.662723 0.174933 0.063717 ] [ 0.162723 0.325067 0.936283 ] [ 0.837277 0.674933 0.436283 ] [ 0.337277 0.825067 0.563717 ] [ 0.049901 0.621996 0.75 ] [ 0.549901 0.878004 0.25 ] [ 0.450099 0.121996 0.75 ] [ 0.950099 0.378004 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "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" 6.81694396 "source-unit" "angstrom" } "b" { "source-value" 7.86182187 "source-unit" "angstrom" } "c" { "source-value" 9.91693515 "source-unit" "angstrom" } }