{ "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 0.671893 ] [ 0 0 0.328107 ] [ 0 0 0 ] [ 0 0.5 0.867367 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.319184 ] [ 0.666667 0.333333 0.319184 ] [ 0.666667 0.333333 0.680816 ] [ 0.333333 0.666667 0.680816 ] [ 0.5 0 0.132633 ] [ 0.5 0.5 0.132633 ] [ 0 0.5 0.132633 ] [ 0.5 0 0.867367 ] [ 0.5 0.5 0.867367 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" ] } "a" { "source-value" 5.02312277835 "source-unit" "angstrom" } "c" { "source-value" 10.92091176 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.07876834 "source-unit" "eV" } }