{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.890008 ] [ 0 0 0.999058 ] [ 0 0 0.499058 ] [ 0.333333 0.666667 0.390008 ] [ 0.338693 0.169347 0.215053 ] [ 0.830653 0.169347 0.215053 ] [ 0.830653 0.661307 0.215053 ] [ 0.169347 0.338693 0.715053 ] [ 0.169347 0.830653 0.715053 ] [ 0.661307 0.830653 0.715053 ] [ 0.666667 0.333333 0.493525 ] [ 0.333333 0.666667 0.993525 ] [ 0.312804 0.156402 0.607809 ] [ 0.518673 0.037346 0.327088 ] [ 0.666667 0.333333 0.105307 ] [ 0 0 0.315502 ] [ 0 0 0.815502 ] [ 0.843598 0.156402 0.607809 ] [ 0.518673 0.481327 0.327088 ] [ 0.962654 0.481327 0.327088 ] [ 0.156402 0.312804 0.107809 ] [ 0.843598 0.687196 0.607809 ] [ 0.037346 0.518673 0.827088 ] [ 0.481327 0.518673 0.827088 ] [ 0.333333 0.666667 0.605307 ] [ 0.156402 0.843598 0.107809 ] [ 0.481327 0.962654 0.827088 ] [ 0.687196 0.843598 0.107809 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.95358192 "source-unit" "angstrom" } "c" { "source-value" 9.84133054 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.806085220714286 "source-unit" "eV" } }