{ "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" [ [ 0.104106 0.5 0.833768 ] [ 0 0 0.5 ] [ 0.895894 0.5 0.166232 ] [ 0.604106 0 0.833768 ] [ 0.5 0.5 0.5 ] [ 0.395894 0 0.166232 ] [ 0.976281 0.754983 0.662364 ] [ 0.754207 0 0.833272 ] [ 0.976281 0.245017 0.662364 ] [ 0.245793 0 0.166728 ] [ 0.776136 0.5 0.835843 ] [ 0.023719 0.245017 0.337636 ] [ 0.023719 0.754983 0.337636 ] [ 0.223864 0.5 0.164157 ] [ 0.476281 0.254983 0.662364 ] [ 0.254207 0.5 0.833272 ] [ 0.476281 0.745017 0.662364 ] [ 0.745793 0.5 0.166728 ] [ 0.276136 0 0.835843 ] [ 0.523719 0.745017 0.337636 ] [ 0.523719 0.254983 0.337636 ] [ 0.723864 0 0.164157 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.5158964975 "source-unit" "angstrom" } "b" { "source-value" 5.62460708275 "source-unit" "angstrom" } "c" { "source-value" 7.17768672616 "source-unit" "angstrom" } "beta" { "source-value" 136.529629211 "source-unit" "degree" } }