{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0.739067 0.5 0.683356 ] [ 0.760933 0 0.316644 ] [ 0.239067 0 0.683356 ] [ 0.260933 0.5 0.316644 ] [ 0.901791 0.5 0.571916 ] [ 0.098209 0.5 0.428084 ] [ 0.131533 0 0.976313 ] [ 0.868467 0 0.023687 ] [ 0.401791 0 0.571916 ] [ 0.598209 0 0.428084 ] [ 0.631533 0.5 0.976313 ] [ 0.368467 0.5 0.023687 ] ] } "species" { "source-value" [ "Co" "Co" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.3964828 "source-unit" "angstrom" } "b" { "source-value" 3.21003341 "source-unit" "angstrom" } "c" { "source-value" 5.94387191 "source-unit" "angstrom" } "beta" { "source-value" 114.93024758 "source-unit" "degree" } }