{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.429246 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.070754 ] [ 0.666667 0.333333 0.929246 ] [ 0.666667 0.333333 0.570754 ] [ 0 0.334869 0 ] [ 0 0.334869 0.5 ] [ 0.333333 0.666667 0.25 ] [ 0.334869 0 0 ] [ 0.334869 0 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.665131 0.665131 0 ] [ 0.665131 0.665131 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Be" "Be" "Be" "Be" "Be" "Be" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.57655371 "source-unit" "angstrom" } "c" { "source-value" 8.78688632 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.874480309375 "source-unit" "eV" } }