{ "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" [ [ 0.333333 0.666667 0.43636 ] [ 0.666667 0.333333 0.93636 ] [ 0.666667 0.333333 0.56364 ] [ 0.333333 0.666667 0.06364 ] [ 0.170913 0.341826 0.75 ] [ 0.829087 0.170913 0.25 ] [ 0.341826 0.170913 0.25 ] [ 0.658174 0.829087 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829087 0.658174 0.25 ] [ 0.170913 0.829087 0.75 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.02060238123 "source-unit" "angstrom" } "c" { "source-value" 9.76755584 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.646020808333333 "source-unit" "eV" } }