{ "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" [ [ 0.17133 0.34266 0.75 ] [ 0.82867 0.17133 0.25 ] [ 0.34266 0.17133 0.25 ] [ 0.65734 0.82867 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.82867 0.65734 0.25 ] [ 0.17133 0.82867 0.75 ] [ 0.333333 0.666667 0.437947 ] [ 0.666667 0.333333 0.937947 ] [ 0.666667 0.333333 0.562053 ] [ 0.333333 0.666667 0.062053 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Nb" "Nb" "Nb" "Nb" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.81796446635 "source-unit" "angstrom" } "c" { "source-value" 7.90152139 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.61614351 "source-unit" "eV" } }