{ "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" [ [ 0.398902 0.398902 0 ] [ 0 0.601098 0.666667 ] [ 0.601098 0 0.333333 ] [ 0.417401 0.417401 0.5 ] [ 0 0.582599 0.166667 ] [ 0.582599 0 0.833333 ] [ 0.891804 0.891804 0 ] [ 0 0.108196 0.666667 ] [ 0.108196 0 0.333333 ] [ 0.39403 0.862298 0.669043 ] [ 0.137702 0.531732 0.002377 ] [ 0.468268 0.60597 0.33571 ] [ 0.038837 0 0.833333 ] [ 0 0.038837 0.166667 ] [ 0.961163 0.961163 0.5 ] [ 0.847352 0.656077 0.027812 ] [ 0.343923 0.191275 0.361145 ] [ 0.808725 0.152648 0.694479 ] [ 0.191275 0.343923 0.638855 ] [ 0.152648 0.808725 0.305521 ] [ 0.656077 0.847352 0.972188 ] [ 0.862298 0.39403 0.330957 ] [ 0.60597 0.468268 0.66429 ] [ 0.531732 0.137702 0.997623 ] ] } "species" { "source-value" [ "La" "La" "La" "Si" "Si" "Si" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.88307011069 "source-unit" "angstrom" } "c" { "source-value" 6.84992178 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.230457694583334 "source-unit" "eV" } }