{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.232882 0.541908 0.75 ] [ 0.094552 0.848956 0.25 ] [ 0.992739 0.39417 0.75 ] [ 0.767118 0.458092 0.25 ] [ 0.40143 0.007261 0.75 ] [ 0.245596 0.094552 0.75 ] [ 0.309026 0.767118 0.75 ] [ 0.541908 0.309026 0.25 ] [ 0.59857 0.992739 0.25 ] [ 0.60583 0.59857 0.75 ] [ 0.007261 0.60583 0.25 ] [ 0.848956 0.754404 0.75 ] [ 0.151044 0.245596 0.25 ] [ 0.754404 0.905448 0.25 ] [ 0.690974 0.232882 0.25 ] [ 0.458092 0.690974 0.75 ] [ 0.39417 0.40143 0.25 ] [ 0.905448 0.151044 0.75 ] [ 0.484449 0.588076 0.25 ] [ 0.724391 0.010026 0.75 ] [ 0.773833 0.131116 0.25 ] [ 0.226167 0.868884 0.75 ] [ 0.250251 0.428335 0.25 ] [ 0.275609 0.989974 0.25 ] [ 0.714365 0.724391 0.25 ] [ 0.642717 0.773833 0.75 ] [ 0.137179 0.628494 0.75 ] [ 0.588076 0.103627 0.75 ] [ 0.821916 0.250251 0.75 ] [ 0.371506 0.508685 0.75 ] [ 0.285635 0.275609 0.75 ] [ 0.749749 0.571665 0.75 ] [ 0.103627 0.515551 0.25 ] [ 0.010026 0.285635 0.25 ] [ 0.491315 0.862821 0.75 ] [ 0.131116 0.357283 0.75 ] [ 0.571665 0.821916 0.25 ] [ 0.357283 0.226167 0.25 ] [ 0.411924 0.896373 0.25 ] [ 0.428335 0.178084 0.75 ] [ 0.515551 0.411924 0.75 ] [ 0.628494 0.491315 0.25 ] [ 0.862821 0.371506 0.25 ] [ 0.989974 0.714365 0.75 ] [ 0.178084 0.749749 0.25 ] [ 0.896373 0.484449 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.508685 0.137179 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.868884 0.642717 0.25 ] [ 0.050567 0.149351 0.75 ] [ 0.098784 0.949433 0.75 ] [ 0.949433 0.850649 0.25 ] [ 0.850649 0.901216 0.75 ] [ 0.901216 0.050567 0.25 ] [ 0.149351 0.098784 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 21.485672892 "source-unit" "angstrom" } "c" { "source-value" 4.35348286 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.188244765178572 "source-unit" "eV" } }