{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.753976 0.753976 0.25 ] [ 0.753976 0 0.75 ] [ 0 0.246024 0.25 ] [ 0.246024 0.246024 0.75 ] [ 0.246024 0 0.25 ] [ 0 0.753976 0.75 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.603656 0 0.25 ] [ 0.603656 0.603656 0.75 ] [ 0 0.396344 0.75 ] [ 0 0.603656 0.25 ] [ 0.396344 0.396344 0.25 ] [ 0.396344 0 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Nb" "Nb" "Nb" "Nb" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 7.94267430096 "source-unit" "angstrom" } "c" { "source-value" 5.46892205 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.855478178125 "source-unit" "eV" } }