{ "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 0 0 ] [ 0.113832 0.765684 0.519378 ] [ 0.234316 0.348149 0.519378 ] [ 0.651851 0.886168 0.519378 ] [ 0.348149 0.234316 0.480622 ] [ 0.886168 0.651851 0.480622 ] [ 0.765684 0.113832 0.480622 ] [ 0.100136 0.436148 0.099618 ] [ 0.563852 0.663988 0.099618 ] [ 0.336012 0.899864 0.099618 ] [ 0.436148 0.100136 0.900382 ] [ 0.899864 0.336012 0.900382 ] [ 0.663988 0.563852 0.900382 ] [ 0.666667 0.333333 0.600608 ] [ 0.333333 0.666667 0.399392 ] [ 0.214698 0.214698 0.5 ] [ 0 0.785302 0.5 ] [ 0.785302 0 0.5 ] [ 0.688507 0.688507 0 ] [ 0 0.311493 0 ] [ 0.311493 0 0 ] ] } "species" { "source-value" [ "Ca" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.88405479929 "source-unit" "angstrom" } "c" { "source-value" 4.0302796 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.847481936666666 "source-unit" "eV" } }