{ "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" [ [ 0.668683 0.715753 0.835199 ] [ 0.831317 0.215753 0.664801 ] [ 0.331317 0.284247 0.164801 ] [ 0.168683 0.784247 0.335199 ] [ 0.689934 0.065054 0.812775 ] [ 0.810066 0.565054 0.687225 ] [ 0.310066 0.934946 0.187225 ] [ 0.189934 0.434946 0.312775 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.75711590264 "source-unit" "angstrom" } "b" { "source-value" 4.53351105 "source-unit" "angstrom" } "c" { "source-value" 7.96497770468 "source-unit" "angstrom" } "beta" { "source-value" 101.528884897 "source-unit" "degree" } }