{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.827649 0.827649 0.827649 ] [ 0.827649 0.172351 0.172351 ] [ 0.172351 0.827649 0.172351 ] [ 0.172351 0.172351 0.827649 ] [ 0.856612 0.856612 0.540929 ] [ 0.356612 0.643388 0.959071 ] [ 0.643388 0.356612 0.959071 ] [ 0.959071 0.643388 0.356612 ] [ 0.540929 0.143388 0.143388 ] [ 0.143388 0.540929 0.143388 ] [ 0.643388 0.959071 0.356612 ] [ 0.356612 0.959071 0.643388 ] [ 0.959071 0.356612 0.643388 ] [ 0.540929 0.856612 0.856612 ] [ 0.856612 0.540929 0.856612 ] [ 0.143388 0.143388 0.540929 ] [ 0.5 0.5 0.5 ] [ 0.327649 0.327649 0.327649 ] [ 0.327649 0.672351 0.672351 ] [ 0.672351 0.327649 0.672351 ] [ 0.672351 0.672351 0.327649 ] [ 0.356612 0.356612 0.040929 ] [ 0.856612 0.143388 0.459071 ] [ 0.143388 0.856612 0.459071 ] [ 0.459071 0.143388 0.856612 ] [ 0.040929 0.643388 0.643388 ] [ 0.643388 0.040929 0.643388 ] [ 0.143388 0.459071 0.856612 ] [ 0.856612 0.459071 0.143388 ] [ 0.459071 0.856612 0.143388 ] [ 0.040929 0.356612 0.356612 ] [ 0.356612 0.040929 0.356612 ] [ 0.643388 0.643388 0.040929 ] [ 0.090398 0.090398 0.275727 ] [ 0.090398 0.909602 0.724273 ] [ 0.909602 0.090398 0.724273 ] [ 0.724273 0.909602 0.090398 ] [ 0.275727 0.909602 0.909602 ] [ 0.909602 0.275727 0.909602 ] [ 0.909602 0.724273 0.090398 ] [ 0.090398 0.724273 0.909602 ] [ 0.724273 0.090398 0.909602 ] [ 0.275727 0.090398 0.090398 ] [ 0.090398 0.275727 0.090398 ] [ 0.909602 0.909602 0.275727 ] [ 0.590398 0.590398 0.775727 ] [ 0.590398 0.409602 0.224273 ] [ 0.409602 0.590398 0.224273 ] [ 0.224273 0.409602 0.590398 ] [ 0.775727 0.409602 0.409602 ] [ 0.409602 0.775727 0.409602 ] [ 0.409602 0.224273 0.590398 ] [ 0.590398 0.224273 0.409602 ] [ 0.224273 0.590398 0.409602 ] [ 0.775727 0.590398 0.590398 ] [ 0.590398 0.775727 0.590398 ] [ 0.409602 0.409602 0.775727 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 10.53611224 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.5054332637931034 "source-unit" "eV" } }