{ "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" [ [ 0.121045 0.24209 0.25 ] [ 0.878955 0.121045 0.75 ] [ 0.24209 0.121045 0.75 ] [ 0.75791 0.878955 0.25 ] [ 0.121045 0.878955 0.25 ] [ 0.878955 0.75791 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.45689 0.913779 0.25 ] [ 0.54311 0.45689 0.75 ] [ 0.913779 0.45689 0.75 ] [ 0.086221 0.54311 0.25 ] [ 0.45689 0.54311 0.25 ] [ 0.54311 0.086221 0.75 ] [ 0.200168 0.400336 0.935084 ] [ 0.799832 0.200168 0.435084 ] [ 0.400336 0.200168 0.435084 ] [ 0.599664 0.799832 0.935084 ] [ 0.200168 0.799832 0.935084 ] [ 0.799832 0.599664 0.064916 ] [ 0.799832 0.200168 0.064916 ] [ 0.799832 0.599664 0.435084 ] [ 0.400336 0.200168 0.064916 ] [ 0.599664 0.799832 0.564916 ] [ 0.200168 0.400336 0.564916 ] [ 0.200168 0.799832 0.564916 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.52067200194 "source-unit" "angstrom" } "c" { "source-value" 7.78897129 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.230914646153845 "source-unit" "eV" } }