{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0 0.745358 0.812003 ] [ 0 0.254642 0.187997 ] [ 0.254642 0.254642 0.812003 ] [ 0.745358 0 0.812003 ] [ 0.254642 0 0.187997 ] [ 0.745358 0.745358 0.187997 ] [ 0.384218 0 0.318917 ] [ 0.615782 0.615782 0.318917 ] [ 0.384218 0.384218 0.681083 ] [ 0 0.384218 0.318917 ] [ 0 0.615782 0.681083 ] [ 0.615782 0 0.681083 ] ] } "species" { "source-value" [ "Mn" "Mn" "Ru" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 6.07953376619 "source-unit" "angstrom" } "c" { "source-value" 6.77942114 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.697112436 "source-unit" "eV" } }