{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.333333 0.666667 0.575907 ] [ 0.666667 0.333333 0.424093 ] [ 0.154454 0.845546 0.15284 ] [ 0.154454 0.308909 0.15284 ] [ 0.691091 0.845546 0.15284 ] [ 0.308909 0.154454 0.84716 ] [ 0.845546 0.691091 0.84716 ] [ 0.845546 0.154454 0.84716 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.15605 0.84395 0.673235 ] [ 0.15605 0.312099 0.673235 ] [ 0.687901 0.84395 0.673235 ] [ 0.312099 0.15605 0.326765 ] [ 0.84395 0.687901 0.326765 ] [ 0.84395 0.15605 0.326765 ] [ 0.333333 0.666667 0.312993 ] [ 0.666667 0.333333 0.687007 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.11632361786 "source-unit" "angstrom" } "c" { "source-value" 7.55661859 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.380225462999999 "source-unit" "eV" } }