{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.571584 0 0.333333 ] [ 0 0.571584 0.666667 ] [ 0.428416 0.428416 0 ] [ 0.571444 0 0.833333 ] [ 0 0.571444 0.166667 ] [ 0.428556 0.428556 0.5 ] [ 0.392924 0.071127 0.458711 ] [ 0.397916 0.070147 0.954139 ] [ 0.929853 0.327769 0.287472 ] [ 0.928873 0.321796 0.792044 ] [ 0.678204 0.607076 0.125378 ] [ 0.672231 0.602084 0.620805 ] [ 0.071127 0.392924 0.541289 ] [ 0.070147 0.397916 0.045861 ] [ 0.327769 0.929853 0.712528 ] [ 0.321796 0.928873 0.207956 ] [ 0.607076 0.678204 0.874622 ] [ 0.602084 0.672231 0.379195 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.2231808 "source-unit" "angstrom" } "c" { "source-value" 12.0946905 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.0495185466666666 "source-unit" "eV" } }