{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.654237 0.025721 0.358216 ] [ 0.025721 0.371484 0.641784 ] [ 0.628516 0.974279 0.858216 ] [ 0.025721 0.654237 0.858216 ] [ 0.345763 0.371484 0.858216 ] [ 0.974279 0.345763 0.141784 ] [ 0.628516 0.654237 0.641784 ] [ 0.371484 0.025721 0.141784 ] [ 0.974279 0.628516 0.358216 ] [ 0.371484 0.345763 0.358216 ] [ 0.345763 0.974279 0.641784 ] [ 0.654237 0.628516 0.141784 ] ] } "species" { "source-value" [ "Li" "Li" "Ca" "Ca" "Co" "Co" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.10063453761 "source-unit" "angstrom" } "c" { "source-value" 9.81474206 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.060442721666666 "source-unit" "eV" } }