{ "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 0.431276 ] [ 0.666667 0.333333 0.568724 ] [ 0.666667 0.333333 0.931276 ] [ 0.333333 0.666667 0.068724 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.168753 0.831247 0.902242 ] [ 0.168753 0.337506 0.902242 ] [ 0.662494 0.831247 0.902242 ] [ 0.831247 0.168753 0.097758 ] [ 0.831247 0.662494 0.097758 ] [ 0.337506 0.168753 0.097758 ] [ 0.831247 0.168753 0.402242 ] [ 0.831247 0.662494 0.402242 ] [ 0.337506 0.168753 0.402242 ] [ 0.168753 0.831247 0.597758 ] [ 0.168753 0.337506 0.597758 ] [ 0.662494 0.831247 0.597758 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Re" "Re" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.84685644826 "source-unit" "angstrom" } "c" { "source-value" 10.62130435 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.970114508636364 "source-unit" "eV" } }