{ "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" [ [ 0.333333 0.666667 0.724637 ] [ 0.666667 0.333333 0.275363 ] [ 0 0 0.5 ] [ 0.139519 0.860481 0.203602 ] [ 0.139519 0.279039 0.203602 ] [ 0.279039 0.139519 0.796398 ] [ 0.720961 0.860481 0.203602 ] [ 0.860481 0.720961 0.796398 ] [ 0.860481 0.139519 0.796398 ] ] } "species" { "source-value" [ "Cs" "Cs" "Ta" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 8.03994834328 "source-unit" "angstrom" } "c" { "source-value" 4.82740909 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.765344947777778 "source-unit" "eV" } }