{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.199577 0.399154 0.5 ] [ 0.199577 0.800423 0.5 ] [ 0.600846 0.800423 0.5 ] [ 0.539445 0.07889 0 ] [ 0.539445 0.460555 0 ] [ 0.92111 0.460555 0 ] [ 0.333333 0.666667 0 ] [ 0.359898 0.179949 0.5 ] [ 0.820051 0.179949 0.5 ] [ 0.820051 0.640102 0.5 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" ] } "a" { "source-value" 6.70145591 "source-unit" "angstrom" } "c" { "source-value" 3.23213787 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2806048145454545 "source-unit" "eV" } }