{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.300834 0.370795 0.714086 ] [ 0.629205 0.930039 0.714086 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.479684 ] [ 0.930039 0.300834 0.285914 ] [ 0.069961 0.699166 0.714086 ] [ 0.333333 0.666667 0.520316 ] [ 0.370795 0.069961 0.285914 ] [ 0.699166 0.629205 0.285914 ] [ 0 0 0 ] [ 0.666667 0.333333 0.046214 ] [ 0.333333 0.666667 0.953786 ] [ 0.346306 0.028216 0.755812 ] [ 0.971784 0.31809 0.755812 ] [ 0.68191 0.653694 0.755812 ] [ 0.31809 0.346306 0.244188 ] [ 0.028216 0.68191 0.244188 ] [ 0.653694 0.971784 0.244188 ] [ 0.194995 0.145524 0.201579 ] [ 0.398617 0.125749 0.562843 ] [ 0.451825 0.157621 0.921657 ] [ 0.510728 0.377229 0.246153 ] [ 0.622771 0.133499 0.246153 ] [ 0.854476 0.049471 0.201579 ] [ 0.705795 0.548175 0.921657 ] [ 0.842379 0.294205 0.921657 ] [ 0.049471 0.194995 0.798421 ] [ 0.874251 0.272868 0.562843 ] [ 0.727132 0.601383 0.562843 ] [ 0.866501 0.489272 0.246153 ] [ 0.133499 0.510728 0.753847 ] [ 0.272868 0.398617 0.437157 ] [ 0.125749 0.727132 0.437157 ] [ 0.950529 0.805005 0.201579 ] [ 0.157621 0.705795 0.078343 ] [ 0.294205 0.451825 0.078343 ] [ 0.145524 0.950529 0.798421 ] [ 0.377229 0.866501 0.753847 ] [ 0.489272 0.622771 0.753847 ] [ 0.548175 0.842379 0.078343 ] [ 0.601383 0.874251 0.437157 ] [ 0.805005 0.854476 0.798421 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.75374026 "source-unit" "angstrom" } "c" { "source-value" 6.88949644 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.572374845952381 "source-unit" "eV" } }