{ "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 ] [ 0.333333 0.666667 0.270918 ] [ 0.666667 0.333333 0.729082 ] [ 0.666667 0.333333 0.453137 ] [ 0.333333 0.666667 0.546863 ] [ 0.835905 0.164095 0.823206 ] [ 0.164095 0.32819 0.176794 ] [ 0.67181 0.835905 0.176794 ] [ 0.32819 0.164095 0.823206 ] [ 0.835905 0.67181 0.823206 ] [ 0.164095 0.835905 0.176794 ] ] } "species" { "source-value" [ "Mn" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.68400319965 "source-unit" "angstrom" } "c" { "source-value" 6.30376601 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.948504889090909 "source-unit" "eV" } }