{ "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 0.166667 ] [ 0 0 0.5 ] [ 0 0 0.833333 ] [ 0 0.5 0.666667 ] [ 0.5 0.5 0.333333 ] [ 0.5 0 0 ] [ 0 0.5 0.166667 ] [ 0.5 0.5 0.833333 ] [ 0.5 0 0.5 ] [ 0.180927 0.776713 0.100563 ] [ 0.223287 0.819073 0.566103 ] [ 0.180927 0.404214 0.23277 ] [ 0.223287 0.404214 0.76723 ] [ 0.595786 0.776713 0.899437 ] [ 0.595786 0.819073 0.433897 ] [ 0.404214 0.180927 0.433897 ] [ 0.404214 0.223287 0.899437 ] [ 0.819073 0.595786 0.23277 ] [ 0.776713 0.595786 0.76723 ] [ 0.819073 0.223287 0.100563 ] [ 0.776713 0.180927 0.566103 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.29077665 "source-unit" "angstrom" } "c" { "source-value" 13.12492619 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.770360537619048 "source-unit" "eV" } }