{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.333333 0.666667 0.423017 ] [ 0.624716 0.812358 0.75 ] [ 0.375284 0.187642 0.25 ] [ 0.187642 0.375284 0.75 ] [ 0.333333 0.666667 0.076983 ] [ 0.666667 0.333333 0.923017 ] [ 0.812358 0.624716 0.25 ] [ 0.187642 0.812358 0.75 ] [ 0.666667 0.333333 0.576983 ] [ 0.812358 0.187642 0.25 ] ] } "species" { "source-value" [ "K" "K" "Pu" "Pu" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.13292580586 "source-unit" "angstrom" } "c" { "source-value" 10.56303161 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.4077988825 "source-unit" "eV" } }