{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.666667 0.333333 0.899717 ] [ 0.333333 0.666667 0.100283 ] [ 0.333333 0.666667 0.761266 ] [ 0.191345 0.382689 0.258273 ] [ 0.617311 0.808655 0.258273 ] [ 0.808655 0.191345 0.741727 ] [ 0.666667 0.333333 0.238734 ] [ 0.808655 0.617311 0.741727 ] [ 0.382689 0.191345 0.741727 ] [ 0.191345 0.808655 0.258273 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.14868624729 "source-unit" "angstrom" } "c" { "source-value" 4.76230032509 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.665380555 "source-unit" "eV" } }