{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.260304 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0 0.739696 ] [ 0.5 0.5 0.156594 ] [ 0.5 0.5 0.384984 ] [ 0 0.5 0.843406 ] [ 0.5 0 0.156594 ] [ 0.5 0 0.843406 ] [ 0.5 0.5 0.615016 ] [ 0.5 0 0.384984 ] [ 0 0.5 0.156594 ] [ 0 0.5 0.384984 ] [ 0.5 0.5 0.843406 ] [ 0.5 0 0.615016 ] [ 0 0.5 0.615016 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.268768 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.731232 ] [ 0.666667 0.333333 0.268768 ] [ 0.666667 0.333333 0.731232 ] [ 0.333333 0.666667 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" 5.13013887408 "source-unit" "angstrom" } "c" { "source-value" 12.70695888 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.91165437375 "source-unit" "eV" } }