{ "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" [ [ 0.008372 0.504186 0.75 ] [ 0.504186 0.008372 0.25 ] [ 0.504186 0.495814 0.25 ] [ 0.991628 0.495814 0.25 ] [ 0.495814 0.991628 0.75 ] [ 0.495814 0.504186 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.833493 0.166507 0.498301 ] [ 0.833493 0.666985 0.498301 ] [ 0.333015 0.166507 0.498301 ] [ 0.166507 0.333015 0.501699 ] [ 0.333015 0.166507 0.001699 ] [ 0.833493 0.166507 0.001699 ] [ 0.833493 0.666985 0.001699 ] [ 0.166507 0.333015 0.998301 ] [ 0.666985 0.833493 0.998301 ] [ 0.666985 0.833493 0.501699 ] [ 0.166507 0.833493 0.501699 ] [ 0.166507 0.833493 0.998301 ] [ 0.666667 0.333333 0.981661 ] [ 0.333333 0.666667 0.018339 ] [ 0.333333 0.666667 0.481661 ] [ 0.666667 0.333333 0.518339 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.28546488076 "source-unit" "angstrom" } "c" { "source-value" 8.34072058 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.430574370833334 "source-unit" "eV" } }