{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.162155 0.25 ] [ 0.5 0.837845 0.75 ] [ 0 0.662155 0.25 ] [ 0 0.337845 0.75 ] [ 0 0.945719 0.142338 ] [ 0 0.945719 0.357662 ] [ 0.5 0.80199 0.43193 ] [ 0.5 0.19801 0.56807 ] [ 0.5 0.19801 0.93193 ] [ 0.5 0.80199 0.06807 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.054281 0.642338 ] [ 0 0.054281 0.857662 ] [ 0.5 0.445719 0.142338 ] [ 0.5 0.445719 0.357662 ] [ 0 0.30199 0.43193 ] [ 0 0.69801 0.56807 ] [ 0 0.69801 0.93193 ] [ 0 0.30199 0.06807 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.554281 0.642338 ] [ 0.5 0.554281 0.857662 ] [ 0.5 0.891239 0.25 ] [ 0.5 0.108761 0.75 ] [ 0 0.882876 0.53757 ] [ 0 0.117124 0.46243 ] [ 0 0.117124 0.03757 ] [ 0 0.882876 0.96243 ] [ 0 0.391239 0.25 ] [ 0 0.608761 0.75 ] [ 0.5 0.382876 0.53757 ] [ 0.5 0.617124 0.46243 ] [ 0.5 0.617124 0.03757 ] [ 0.5 0.382876 0.96243 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.63140338 "source-unit" "angstrom" } "b" { "source-value" 11.46778184 "source-unit" "angstrom" } "c" { "source-value" 11.4375805 "source-unit" "angstrom" } }