{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.36532 ] [ 0.333333 0.666667 0.86532 ] [ 0.333333 0.666667 0.63468 ] [ 0.666667 0.333333 0.13468 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.427752 ] [ 0.666667 0.333333 0.927752 ] [ 0.333333 0.666667 0.072248 ] [ 0.666667 0.333333 0.572248 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Si" "Si" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.07329031986 "source-unit" "angstrom" } "c" { "source-value" 17.75597178 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.7489151025 "source-unit" "eV" } }