{ "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 0.677225 ] [ 0 0 0.322775 ] [ 0 0 0 ] [ 0 0.5 0.865485 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.318193 ] [ 0.666667 0.333333 0.318193 ] [ 0.666667 0.333333 0.681807 ] [ 0.333333 0.666667 0.681807 ] [ 0.5 0 0.134515 ] [ 0.5 0.5 0.134515 ] [ 0 0.5 0.134515 ] [ 0.5 0 0.865485 ] [ 0.5 0.5 0.865485 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" ] } "a" { "source-value" 5.07253750645 "source-unit" "angstrom" } "c" { "source-value" 10.77609834 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.820549533333333 "source-unit" "eV" } }