{ "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" [ [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.015026 0.750506 0.789676 ] [ 0.015026 0.249494 0.789676 ] [ 0.735234 0 0.194085 ] [ 0.762074 0 0.797069 ] [ 0.237926 0 0.202931 ] [ 0.264766 0 0.805915 ] [ 0.984974 0.750506 0.210324 ] [ 0.984974 0.249494 0.210324 ] [ 0.515026 0.250506 0.789676 ] [ 0.515026 0.749494 0.789676 ] [ 0.235234 0.5 0.194085 ] [ 0.262074 0.5 0.797069 ] [ 0.737926 0.5 0.202931 ] [ 0.764766 0.5 0.805915 ] [ 0.484974 0.250506 0.210324 ] [ 0.484974 0.749494 0.210324 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Co" "Co" "Co" "Co" "Co" "Co" "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" 9.80664899 "source-unit" "angstrom" } "b" { "source-value" 5.68222083 "source-unit" "angstrom" } "c" { "source-value" 5.88911183 "source-unit" "angstrom" } "beta" { "source-value" 124.05844563 "source-unit" "degree" } }