{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.880052 ] [ 0.666667 0.333333 0.119948 ] [ 0.666667 0.333333 0.380052 ] [ 0.333333 0.666667 0.619948 ] [ 0.925754 0.255572 0.086353 ] [ 0.744428 0.670182 0.086353 ] [ 0.074246 0.744428 0.586353 ] [ 0.255572 0.329818 0.913647 ] [ 0.333333 0.666667 0.75 ] [ 0.670182 0.925754 0.586353 ] [ 0.744428 0.670182 0.413647 ] [ 0.670182 0.925754 0.913647 ] [ 0.329818 0.074246 0.086353 ] [ 0.255572 0.329818 0.586353 ] [ 0.925754 0.255572 0.413647 ] [ 0.329818 0.074246 0.413647 ] [ 0.074246 0.744428 0.913647 ] [ 0.666667 0.333333 0.25 ] ] } "species" { "source-value" [ "Si" "Si" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.80639619484 "source-unit" "angstrom" } "c" { "source-value" 12.10629701 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.3849198545 "source-unit" "eV" } }