{ "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" [ [ 0.024197 0 0.837016 ] [ 0.975803 0 0.162984 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.497271 0 0.674647 ] [ 0.502729 0 0.325353 ] [ 0.524197 0.5 0.837016 ] [ 0.475803 0.5 0.162984 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.997271 0.5 0.674647 ] [ 0.002729 0.5 0.325353 ] [ 0.674022 0 0.146945 ] [ 0.325978 0 0.853055 ] [ 0.174022 0.5 0.146945 ] [ 0.825978 0.5 0.853055 ] [ 0 0.798456 0 ] [ 0.009334 0.803976 0.668929 ] [ 0.990666 0.803976 0.331071 ] [ 0.712037 0 0.840251 ] [ 0.693683 0 0.502331 ] [ 0.306317 0 0.497669 ] [ 0.287963 0 0.159749 ] [ 0 0.201544 0 ] [ 0.009334 0.196024 0.668929 ] [ 0.990666 0.196024 0.331071 ] [ 0.5 0.298456 0 ] [ 0.509334 0.303976 0.668929 ] [ 0.490666 0.303976 0.331071 ] [ 0.212037 0.5 0.840251 ] [ 0.193683 0.5 0.502331 ] [ 0.806317 0.5 0.497669 ] [ 0.787963 0.5 0.159749 ] [ 0.5 0.701544 0 ] [ 0.509334 0.696024 0.668929 ] [ 0.490666 0.696024 0.331071 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60229954 "source-unit" "angstrom" } "b" { "source-value" 6.77291382 "source-unit" "angstrom" } "c" { "source-value" 9.42155649 "source-unit" "angstrom" } "beta" { "source-value" 91.13251695 "source-unit" "degree" } }