{ "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" [ [ 0.666667 0.333333 0.407367 ] [ 0.333333 0.666667 0.592633 ] [ 0 0 0.798538 ] [ 0 0 0.201462 ] [ 0.333333 0.666667 0.152649 ] [ 0.666667 0.333333 0.847351 ] [ 0.334429 0.167214 0.72131 ] [ 0.167214 0.832786 0.27869 ] [ 0.832786 0.167214 0.72131 ] [ 0.832786 0.665571 0.72131 ] [ 0.665571 0.832786 0.27869 ] [ 0 0 0 ] [ 0.167214 0.334429 0.27869 ] ] } "species" { "source-value" [ "Rb" "Rb" "Al" "Al" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.74799588427 "source-unit" "angstrom" } "c" { "source-value" 8.58503823 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.183357141538461 "source-unit" "eV" } }