{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.756633 0.75 ] [ 0 0.243367 0.25 ] [ 0.756633 0.756633 0.25 ] [ 0.756633 0 0.75 ] [ 0.243367 0.243367 0.75 ] [ 0.243367 0 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.394389 0 0.75 ] [ 0.394389 0.394389 0.25 ] [ 0 0.605611 0.25 ] [ 0 0.394389 0.75 ] [ 0.605611 0.605611 0.75 ] [ 0.605611 0 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 8.45936543459 "source-unit" "angstrom" } "c" { "source-value" 6.3875965 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.79623927 "source-unit" "eV" } }