{ "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 ] [ 0 0 0.32794 ] [ 0 0 0.67206 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.319076 ] [ 0.666667 0.333333 0.319076 ] [ 0.666667 0.333333 0.680924 ] [ 0.333333 0.666667 0.680924 ] [ 0.5 0 0.133535 ] [ 0.5 0.5 0.133535 ] [ 0 0.5 0.133535 ] [ 0.5 0 0.866465 ] [ 0.5 0.5 0.866465 ] [ 0 0.5 0.866465 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" ] } "a" { "source-value" 4.93916107705 "source-unit" "angstrom" } "c" { "source-value" 10.91108865 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.121390019444444 "source-unit" "eV" } }