{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.966637 0.816545 0.25 ] [ 0.816545 0.849908 0.75 ] [ 0.033363 0.183455 0.75 ] [ 0.183455 0.150092 0.25 ] [ 0.849908 0.033363 0.25 ] [ 0.150092 0.966637 0.75 ] [ 0.931355 0.636533 0.75 ] [ 0.294822 0.931355 0.25 ] [ 0.705178 0.068645 0.75 ] [ 0.068645 0.363467 0.25 ] [ 0.636533 0.705178 0.25 ] [ 0.363467 0.294822 0.75 ] ] } "species" { "source-value" [ "In" "In" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 9.11464293131 "source-unit" "angstrom" } "c" { "source-value" 4.52992692 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.967784308571429 "source-unit" "eV" } }