{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 5.61106 5.235099 5.002093 4.832802 4.69976 4.590148 4.496937 4.415851 4.344096 4.279744 4.221409 4.168063 4.118918 4.07336 4.030902 3.991149 3.953776 3.918514 3.885138 3.853455 3.823304 3.794541 3.767046 3.74071 3.722781 3.703912 3.683998 3.662917 3.640524 3.616644 3.591065 3.563527 3.533706 3.501188 3.465435 3.425734 3.381103 3.33014 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.61106e-10 5.235099000000001e-10 5.002093000000001e-10 4.832802e-10 4.69976e-10 4.5901480000000003e-10 4.496937e-10 4.415851e-10 4.344096000000001e-10 4.2797440000000003e-10 4.221409000000001e-10 4.1680630000000004e-10 4.118918e-10 4.0733600000000003e-10 4.030902e-10 3.9911490000000004e-10 3.953776e-10 3.9185140000000003e-10 3.885138e-10 3.853455e-10 3.823304e-10 3.7945410000000003e-10 3.767046e-10 3.74071e-10 3.722781e-10 3.703912e-10 3.683998e-10 3.662917e-10 3.6405240000000004e-10 3.6166440000000003e-10 3.591065e-10 3.5635270000000005e-10 3.5337060000000003e-10 3.501188e-10 3.465435e-10 3.425734e-10 3.3811030000000003e-10 3.33014e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 3.11693 4.65731 6.02041 7.26783 8.42678 9.511 10.533 11.4947 12.3982 13.2474 14.0414 14.7803 15.4648 16.0952 16.6698 17.1879 17.6487 18.0525 18.397 18.681 18.9033 19.0636 19.1623 19.1956 19.1789 19.1226 19.0154 18.8424 18.5836 18.2118 17.689 16.9621 15.9544 14.5535 12.5815 9.75826 5.61563 -0.68118 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.993872374670144e-19 7.461833197818048e-19 9.645760149630528e-19 1.1644347309948865e-18 1.3501189904625026e-18 1.52383018404288e-18 1.68757263468864e-18 1.8416539603109762e-18 1.986410618000256e-18 2.1224674566385922e-18 2.2496802803301122e-18 2.368065110841024e-18 2.477734100534784e-18 2.578735314710016e-18 2.670796383341184e-18 2.753805154064832e-18 2.8276334527512964e-18 2.8923293446992e-18 2.94752432928576e-18 2.9930261453164805e-18 3.0286425315968643e-18 3.0543254228282882e-18 3.0701389060755838e-18 3.075474154222848e-18 3.072798519266112e-18 3.063778264891008e-18 3.046602931516032e-18 3.0188852759761924e-18 2.977420945029888e-18 2.917852018268544e-18 2.83409022453312e-18 2.717628005967168e-18 2.556176667889152e-18 2.33172774508128e-18 2.01577851545952e-18 1.563445603168781e-18 8.997231097063105e-19 -1.0913706705565442e-19 ] } }