{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_422" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.666667 ] [ 0 0 0.333333 ] [ 0.5 0 0.5 ] [ 0 0.5 0.833333 ] [ 0.5 0.5 0.166667 ] [ 0.5 0.5 0.666667 ] [ 0 0.5 0.333333 ] [ 0.5 0 0 ] [ 0.400184 0.206119 0.58876 ] [ 0.206119 0.805935 0.922094 ] [ 0.194065 0.400184 0.255427 ] [ 0.599816 0.793881 0.58876 ] [ 0.805935 0.206119 0.41124 ] [ 0.793881 0.599816 0.744573 ] [ 0.206119 0.400184 0.744573 ] [ 0.599816 0.805935 0.077906 ] [ 0.400184 0.194065 0.077906 ] [ 0.805935 0.599816 0.255427 ] [ 0.194065 0.793881 0.41124 ] [ 0.793881 0.194065 0.922094 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Al" "Al" "Al" "Si" "Si" "Si" "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" 5.29720727844 "source-unit" "angstrom" } "c" { "source-value" 11.45030422 "source-unit" "angstrom" } }