{ "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" [ [ 0.666667 0.333333 0.963056 ] [ 0.666667 0.333333 0.536944 ] [ 0.333333 0.666667 0.036944 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.463056 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0 ] [ 0.166512 0.333024 0.869116 ] [ 0.166512 0.333024 0.630884 ] [ 0.666976 0.833488 0.869116 ] [ 0.333024 0.166512 0.369116 ] [ 0.833488 0.666976 0.369116 ] [ 0.833488 0.166512 0.369116 ] [ 0.833488 0.166512 0.130884 ] [ 0.333024 0.166512 0.130884 ] [ 0.666976 0.833488 0.630884 ] [ 0.166512 0.833488 0.630884 ] [ 0.833488 0.666976 0.130884 ] [ 0.166512 0.833488 0.869116 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.56161714028 "source-unit" "angstrom" } "c" { "source-value" 15.16086848 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.670430565833333 "source-unit" "eV" } }