{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.833333 ] [ 0 0 0.166667 ] [ 0 0 0.5 ] [ 0.5 0.5 0.833333 ] [ 0 0.5 0.166667 ] [ 0.5 0 0.5 ] [ 0 0.5 0.666667 ] [ 0.5 0 0 ] [ 0.5 0.5 0.333333 ] [ 0.785582 0.185676 0.084487 ] [ 0.599906 0.785582 0.41782 ] [ 0.185676 0.785582 0.58218 ] [ 0.400094 0.214418 0.41782 ] [ 0.785582 0.599906 0.248846 ] [ 0.814324 0.599906 0.751154 ] [ 0.185676 0.400094 0.751154 ] [ 0.400094 0.185676 0.915513 ] [ 0.214418 0.400094 0.248846 ] [ 0.214418 0.814324 0.084487 ] [ 0.814324 0.214418 0.58218 ] [ 0.599906 0.814324 0.915513 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Al" "Al" "Al" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.35651800481 "source-unit" "angstrom" } "c" { "source-value" 11.10301038 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.20823832047619 "source-unit" "eV" } }