{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.098542 ] [ 0.666667 0.333333 0.598542 ] [ 0.666667 0.333333 0.901458 ] [ 0.333333 0.666667 0.401458 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.038639 0.6727 0.25 ] [ 0.365939 0.038639 0.75 ] [ 0.6727 0.634061 0.75 ] [ 0.3273 0.365939 0.25 ] [ 0.634061 0.961361 0.25 ] [ 0.365939 0.3273 0.75 ] [ 0.961361 0.634061 0.75 ] [ 0.961361 0.3273 0.75 ] [ 0.6727 0.038639 0.75 ] [ 0.3273 0.961361 0.25 ] [ 0.634061 0.6727 0.25 ] [ 0.038639 0.365939 0.25 ] [ 0.160192 0.320385 0.97133 ] [ 0.839808 0.160192 0.47133 ] [ 0.320385 0.160192 0.47133 ] [ 0.679615 0.839808 0.97133 ] [ 0.160192 0.839808 0.97133 ] [ 0.839808 0.679615 0.02867 ] [ 0.839808 0.160192 0.02867 ] [ 0.839808 0.679615 0.47133 ] [ 0.320385 0.160192 0.02867 ] [ 0.679615 0.839808 0.52867 ] [ 0.160192 0.320385 0.52867 ] [ 0.160192 0.839808 0.52867 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 10.2025194908 "source-unit" "angstrom" } "c" { "source-value" 10.03542565 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.5241495589473686 "source-unit" "eV" } }