{ "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 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.903713 ] [ 0.666667 0.333333 0.403713 ] [ 0.333333 0.666667 0.596287 ] [ 0.666667 0.333333 0.096287 ] ] } "species" { "source-value" [ "Tl" "Tl" "In" "In" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.9085199285 "source-unit" "angstrom" } "c" { "source-value" 15.03170808 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.858941525 "source-unit" "eV" } }