{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.310919 ] [ 0.333333 0.666667 0.689081 ] [ 0.8498 0.1502 0.784475 ] [ 0.8498 0.699601 0.784475 ] [ 0.300399 0.1502 0.784475 ] [ 0.1502 0.8498 0.215525 ] [ 0.1502 0.300399 0.215525 ] [ 0.699601 0.8498 0.215525 ] ] } "species" { "source-value" [ "Ti" "Tl" "Tl" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.03942352823 "source-unit" "angstrom" } "c" { "source-value" 4.95172415 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.426134591111111 "source-unit" "eV" } }