{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.568639 0.137277 0.603545 ] [ 0.431361 0.568639 0.103545 ] [ 0.568639 0.431361 0.603545 ] [ 0.862723 0.431361 0.603545 ] [ 0.431361 0.568639 0.396455 ] [ 0.137277 0.568639 0.396455 ] [ 0.862723 0.431361 0.896455 ] [ 0.431361 0.862723 0.396455 ] [ 0.431361 0.862723 0.103545 ] [ 0.568639 0.137277 0.896455 ] [ 0.568639 0.431361 0.896455 ] [ 0.137277 0.568639 0.103545 ] [ 0.245767 0.491534 0.083499 ] [ 0.532432 0.467568 0.75 ] [ 0.754233 0.508466 0.916501 ] [ 0.508466 0.754233 0.083499 ] [ 0.754233 0.245767 0.583499 ] [ 0.5 0.5 0.5 ] [ 0.532432 0.064865 0.75 ] [ 0.245767 0.491534 0.416501 ] [ 0.245767 0.754233 0.083499 ] [ 0.491534 0.245767 0.583499 ] [ 0.467568 0.935135 0.25 ] [ 0.508466 0.754233 0.416501 ] [ 0.064865 0.532432 0.25 ] [ 0 0.5 0 ] [ 0.935135 0.467568 0.75 ] [ 0.5 0 0 ] [ 0.491534 0.245767 0.916501 ] [ 0.754233 0.245767 0.916501 ] [ 0.467568 0.532432 0.25 ] [ 0.245767 0.754233 0.416501 ] [ 0.754233 0.508466 0.583499 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 10.0910918908 "source-unit" "angstrom" } "c" { "source-value" 10.29627857 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.8731027825 "source-unit" "eV" } }