{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.115693 ] [ 0.5 0.5 0.449027 ] [ 0 0.5 0.78236 ] [ 0.5 0 0.884307 ] [ 0.5 0.5 0.21764 ] [ 0 0.5 0.550973 ] [ 0.164758 0.329517 0 ] [ 0.835242 0.164758 0.333333 ] [ 0.329517 0.164758 0.666667 ] [ 0.670483 0.835242 0.666667 ] [ 0.164758 0.835242 0.333333 ] [ 0.835242 0.670483 0 ] [ 0 0 0.166667 ] [ 0 0 0.5 ] [ 0 0 0.833333 ] [ 0 0.5 0.166667 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.833333 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.1946796388 "source-unit" "angstrom" } "c" { "source-value" 13.1407613 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.167955245 "source-unit" "eV" } }