{ "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 0.338565 0 ] [ 0.661435 0.661435 0 ] [ 0.338565 0 0 ] [ 0 0.661435 0 ] [ 0.338565 0.338565 0 ] [ 0.661435 0 0 ] [ 0.333333 0.666667 0.492475 ] [ 0.666667 0.333333 0.507525 ] [ 0 0 0 ] [ 0.437315 0.562685 0.249302 ] [ 0.770971 0.229029 0.270409 ] [ 0.229029 0.770971 0.729591 ] [ 0.770971 0.541942 0.270409 ] [ 0.210282 0.105141 0.765722 ] [ 0.458058 0.229029 0.270409 ] [ 0.541942 0.770971 0.729591 ] [ 0.894859 0.789718 0.765722 ] [ 0.562685 0.437315 0.750698 ] [ 0.562685 0.125371 0.750698 ] [ 0.874629 0.437315 0.750698 ] [ 0.125371 0.562685 0.249302 ] [ 0.437315 0.874629 0.249302 ] [ 0.229029 0.458058 0.729591 ] [ 0.105141 0.210282 0.234278 ] [ 0.105141 0.894859 0.234278 ] [ 0.789718 0.894859 0.234278 ] [ 0.894859 0.105141 0.765722 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 12.7140594976 "source-unit" "angstrom" } "c" { "source-value" 6.6840045 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.080292064074074 "source-unit" "eV" } }