{ "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" [ [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.623295 0.876186 0.127769 ] [ 0.376705 0.123814 0.872231 ] [ 0.623295 0.623814 0.627769 ] [ 0.376705 0.376186 0.372231 ] [ 0.12656 0.617989 0.886144 ] [ 0.87344 0.382011 0.113856 ] [ 0.87344 0.117989 0.613856 ] [ 0.12656 0.882011 0.386144 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "As" "As" "As" "As" "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" 5.57871428661 "source-unit" "angstrom" } "b" { "source-value" 5.61311804 "source-unit" "angstrom" } "c" { "source-value" 5.61832496443 "source-unit" "angstrom" } "beta" { "source-value" 92.5539268749 "source-unit" "degree" } }