{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.573002 0 0 ] [ 0.426998 0.426998 0 ] [ 0 0.573002 0 ] [ 0.666667 0.333333 0.500131 ] [ 0.333333 0.666667 0.499869 ] [ 0 0.244633 0.5 ] [ 0.244633 0 0.5 ] [ 0.755367 0.755367 0.5 ] [ 0 0 0 ] [ 0.284477 0.836837 0.651054 ] [ 0.836837 0.284477 0.348946 ] [ 0.333333 0.666667 0.151226 ] [ 0.097211 0.891945 0.230881 ] [ 0.794734 0.902789 0.230881 ] [ 0.205266 0.108055 0.769119 ] [ 0.55236 0.715523 0.651054 ] [ 0.163163 0.44764 0.651054 ] [ 0.666667 0.333333 0.848774 ] [ 0.715523 0.55236 0.348946 ] [ 0.891945 0.097211 0.769119 ] [ 0.44764 0.163163 0.348946 ] [ 0.902789 0.794734 0.769119 ] [ 0.108055 0.205266 0.230881 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ga" "Ga" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.70978778897 "source-unit" "angstrom" } "c" { "source-value" 5.09435508 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.438043632173914 "source-unit" "eV" } }