{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.297494 0 0 ] [ 0.297494 0.297494 0 ] [ 0 0.702506 0 ] [ 0 0.297494 0 ] [ 0.702506 0.702506 0 ] [ 0.702506 0 0 ] [ 0.818126 0.636252 0.5 ] [ 0.636252 0.818126 0.5 ] [ 0.181874 0.818126 0.5 ] [ 0.181874 0.363748 0.5 ] [ 0.818126 0.181874 0.5 ] [ 0.363748 0.181874 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 8.96336068839 "source-unit" "angstrom" } "c" { "source-value" 4.07344649 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.219576607777778 "source-unit" "eV" } }