{ "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" [ [ 0.333333 0.666667 0.103869 ] [ 0 0 0.0061 ] [ 0 0 0.5061 ] [ 0.666667 0.333333 0.603869 ] [ 0.170145 0.340289 0.788413 ] [ 0.170145 0.829855 0.788413 ] [ 0.659711 0.829855 0.788413 ] [ 0.340289 0.170145 0.288413 ] [ 0.829855 0.170145 0.288413 ] [ 0.829855 0.659711 0.288413 ] [ 0.333333 0.666667 0.517039 ] [ 0.666667 0.333333 0.017039 ] [ 0.170993 0.341987 0.402684 ] [ 0.045249 0.522624 0.651048 ] [ 0.333333 0.666667 0.897236 ] [ 0 0 0.695683 ] [ 0 0 0.195683 ] [ 0.170993 0.829007 0.402684 ] [ 0.477376 0.522624 0.651048 ] [ 0.477376 0.954751 0.651048 ] [ 0.341987 0.170993 0.902684 ] [ 0.658013 0.829007 0.402684 ] [ 0.522624 0.045249 0.151048 ] [ 0.522624 0.477376 0.151048 ] [ 0.666667 0.333333 0.397236 ] [ 0.829007 0.170993 0.902684 ] [ 0.954751 0.477376 0.151048 ] [ 0.829007 0.658013 0.902684 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.90342458 "source-unit" "angstrom" } "c" { "source-value" 9.37716816 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.013982953571428 "source-unit" "eV" } }