{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.39325 4.098885 3.91645 3.783901 3.679733 3.593911 3.52093 3.457442 3.40126 3.350875 3.305201 3.263433 3.224954 3.189284 3.156041 3.124915 3.095653 3.068044 3.041912 3.017106 2.993498 2.970978 2.94945 2.92883 2.914792 2.900018 2.884427 2.867921 2.850387 2.83169 2.811662 2.790101 2.766752 2.741292 2.713299 2.682214 2.647269 2.607367 2.560864 2.505138 2.435598 2.34306 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3932500000000003e-10 4.098885e-10 3.9164500000000005e-10 3.7839010000000006e-10 3.6797330000000004e-10 3.593911e-10 3.52093e-10 3.457442e-10 3.40126e-10 3.350875e-10 3.305201e-10 3.263433e-10 3.224954e-10 3.189284e-10 3.1560410000000004e-10 3.1249150000000004e-10 3.095653e-10 3.068044e-10 3.041912e-10 3.017106e-10 2.9934980000000005e-10 2.970978e-10 2.94945e-10 2.92883e-10 2.914792e-10 2.9000180000000004e-10 2.884427e-10 2.867921e-10 2.8503870000000003e-10 2.83169e-10 2.811662e-10 2.790101e-10 2.766752e-10 2.741292e-10 2.713299e-10 2.682214e-10 2.647269e-10 2.607367e-10 2.5608640000000003e-10 2.505138e-10 2.435598e-10 2.34306e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0810949 -0.124821 -0.0681654 -0.00514153 0.0724647 0.165334 0.272003 0.390014 0.5157 0.6445 0.771698 0.893101 1.00547 1.10665 1.19546 1.27157 1.33522 1.38709 1.4281 1.45931 1.48181 1.49666 1.50489 1.50744 1.50629 1.50265 1.49632 1.48703 1.47424 1.45728 1.43526 1.40701 1.37084 1.32432 1.26375 1.18351 1.07495 0.924338 0.708185 0.379396 -0.194091 -1.54007 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.2992835284611392e-20 -1.9998528798487683e-20 -1.0921301022748033e-20 -8.237639161141824e-22 1.1610124817328578e-20 2.6489426942334723e-20 4.357968473874624e-20 6.248713125846913e-20 8.262424833465601e-20 1.0326028321056e-19 1.2363964939181184e-19 1.430905542213101e-19 1.6109405269157763e-19 1.77304875740832e-19 1.9153380631015681e-19 2.0372797257106563e-19 2.1392582676245763e-19 2.2223631689454723e-19 2.28806843216448e-19 2.338072364499648e-19 2.374121338467648e-19 2.3979136612865283e-19 2.4110995748757124e-19 2.415185125258752e-19 2.413342622144832e-19 2.4075106992451204e-19 2.397368921235456e-19 2.382484700428224e-19 2.3619928614481923e-19 2.334819945959424e-19 2.299540016769408e-19 2.254278527231808e-19 2.196327798857472e-19 2.121794542457856e-19 2.024750704536e-19 1.896192052483008e-19 1.7222597585289603e-19 1.4809527333170305e-19 1.1346374502012479e-19 6.078594012250368e-20 -3.109680625076928e-20 -2.467464148395456e-19 ] } }