{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.946959 ] [ 0.666667 0.333333 0.446959 ] [ 0.333333 0.666667 0.515689 ] [ 0.666667 0.333333 0.015689 ] [ 0.145981 0.854019 0.249218 ] [ 0.291962 0.145981 0.749218 ] [ 0.854019 0.708038 0.749218 ] [ 0.145981 0.291962 0.249218 ] [ 0.708038 0.854019 0.249218 ] [ 0.854019 0.145981 0.749218 ] [ 0.831958 0.168042 0.132403 ] [ 0.663917 0.831958 0.632403 ] [ 0.168042 0.336083 0.632403 ] [ 0.831958 0.663917 0.132403 ] [ 0.336083 0.168042 0.132403 ] [ 0.168042 0.831958 0.632403 ] [ 0.512159 0.487841 0.865053 ] [ 0.024317 0.512159 0.365053 ] [ 0.487841 0.975683 0.365053 ] [ 0.512159 0.024317 0.865053 ] [ 0 0 0.392398 ] [ 0 0 0.892398 ] [ 0.333333 0.666667 0.143931 ] [ 0.975683 0.487841 0.865053 ] [ 0.487841 0.512159 0.365053 ] [ 0.666667 0.333333 0.643931 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "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" 5.87136229213 "source-unit" "angstrom" } "c" { "source-value" 10.02093675 "source-unit" "angstrom" } }