{ "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 0.5 ] [ 0 0 0 ] [ 0 0 0.646941 ] [ 0 0 0.353059 ] [ 0.333333 0.666667 0.576042 ] [ 0.666667 0.333333 0.423958 ] [ 0.333333 0.666667 0.286539 ] [ 0.666667 0.333333 0.713461 ] [ 0.333333 0.666667 0.93209 ] [ 0.666667 0.333333 0.06791 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "Ti" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 3.57712424 "source-unit" "angstrom" } "c" { "source-value" 22.61088539 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.814673679 "source-unit" "eV" } }