{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.340066 0.014793 0.839047 ] [ 0.332997 0.980204 0.336049 ] [ 0.667003 0.980204 0.663951 ] [ 0.659934 0.014793 0.160953 ] [ 0 0.018064 0.5 ] [ 0 0.011084 0 ] [ 0.840066 0.514793 0.839047 ] [ 0.832997 0.480204 0.336049 ] [ 0.167003 0.480204 0.663951 ] [ 0.159934 0.514793 0.160953 ] [ 0.5 0.518064 0.5 ] [ 0.5 0.511084 0 ] [ 0.824093 0.177063 0.325387 ] [ 0.175907 0.177063 0.674613 ] [ 0 0.722609 0 ] [ 0 0.314142 0 ] [ 0.324093 0.677063 0.325387 ] [ 0.675907 0.677063 0.674613 ] [ 0.5 0.222609 0 ] [ 0.5 0.814142 0 ] [ 0.831116 0.793801 0.334622 ] [ 0.168884 0.793801 0.665378 ] [ 0.434781 0.994241 0.632329 ] [ 0.092729 0.001002 0.304932 ] [ 0.767661 0.005946 0.962127 ] [ 0.565219 0.994241 0.367671 ] [ 0.232339 0.005946 0.037873 ] [ 0.907271 0.001002 0.695068 ] [ 0.331116 0.293801 0.334622 ] [ 0.668884 0.293801 0.665378 ] [ 0.934781 0.494241 0.632329 ] [ 0.592729 0.501002 0.304932 ] [ 0.267661 0.505946 0.962127 ] [ 0.065219 0.494241 0.367671 ] [ 0.732339 0.505946 0.037873 ] [ 0.407271 0.501002 0.695068 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.2324899 "source-unit" "angstrom" } "b" { "source-value" 6.41404231 "source-unit" "angstrom" } "c" { "source-value" 7.51280305 "source-unit" "angstrom" } "beta" { "source-value" 114.10079205 "source-unit" "degree" } }