{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.32407 ] [ 0.333333 0.666667 0.82407 ] [ 0.906029 0.658507 0.79374 ] [ 0.341493 0.247522 0.79374 ] [ 0.247522 0.906029 0.29374 ] [ 0.752478 0.093971 0.79374 ] [ 0.658507 0.752478 0.29374 ] [ 0.093971 0.341493 0.29374 ] [ 0.920394 0.758199 0.175549 ] [ 0.594218 0.470205 0.45075 ] [ 0.241801 0.162195 0.175549 ] [ 0.666667 0.333333 0.015261 ] [ 0.875987 0.405782 0.45075 ] [ 0.529795 0.124013 0.45075 ] [ 0.162195 0.920394 0.675549 ] [ 0.837805 0.079606 0.175549 ] [ 0.470205 0.875987 0.95075 ] [ 0.124013 0.594218 0.95075 ] [ 0.333333 0.666667 0.515261 ] [ 0.758199 0.837805 0.675549 ] [ 0.405782 0.529795 0.95075 ] [ 0.079606 0.241801 0.675549 ] ] } "species" { "source-value" [ "Si" "Si" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.27388652 "source-unit" "angstrom" } "c" { "source-value" 5.33672709 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.250181176818182 "source-unit" "eV" } }