{ "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" [ [ 0.618805 0.5 0.893805 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.881195 0 0.106195 ] [ 0.118805 0 0.893805 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.381195 0.5 0.106195 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.750715 0 0.691287 ] [ 0.749285 0.5 0.308713 ] [ 0.250715 0.5 0.691287 ] [ 0.249285 0 0.308713 ] [ 0.740146 0 0.22997 ] [ 0.518028 0.763613 0.267155 ] [ 0.518028 0.236387 0.267155 ] [ 0.981972 0.263613 0.732845 ] [ 0.981972 0.736387 0.732845 ] [ 0.759854 0.5 0.77003 ] [ 0.240146 0.5 0.22997 ] [ 0.018028 0.263613 0.267155 ] [ 0.018028 0.736387 0.267155 ] [ 0.481972 0.763613 0.732845 ] [ 0.481972 0.236387 0.732845 ] [ 0.259854 0 0.77003 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 10.21680212 "source-unit" "angstrom" } "b" { "source-value" 5.81268243 "source-unit" "angstrom" } "c" { "source-value" 5.87163762 "source-unit" "angstrom" } "beta" { "source-value" 123.9312715 "source-unit" "degree" } }