{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cu" ] } "a" { "source-value" [ 3.58928 3.348784 3.199735 3.091442 3.006337 2.936221 2.876595 2.824726 2.778825 2.73766 2.700345 2.66622 2.634783 2.60564 2.578481 2.553051 2.529144 2.506588 2.485238 2.464971 2.445684 2.427285 2.409696 2.39285 2.375819 2.358269 2.340166 2.321476 2.302157 2.282168 2.261458 2.239976 2.21766 2.194444 2.170251 2.144996 2.118582 2.090896 2.061811 2.031176 1.998818 1.964531 1.928071 1.889143 1.847389 1.802367 1.753519 1.700137 1.64129 1.575731 1.50173 1.416787 1.317094 1.19643 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.58928e-10 3.3487840000000004e-10 3.199735e-10 3.0914419999999997e-10 3.006337e-10 2.936221e-10 2.876595e-10 2.824726e-10 2.778825e-10 2.73766e-10 2.700345e-10 2.66622e-10 2.6347830000000003e-10 2.60564e-10 2.578481e-10 2.553051e-10 2.529144e-10 2.5065879999999997e-10 2.485238e-10 2.464971e-10 2.445684e-10 2.427285e-10 2.4096959999999997e-10 2.39285e-10 2.375819e-10 2.358269e-10 2.340166e-10 2.3214760000000003e-10 2.3021569999999998e-10 2.282168e-10 2.2614580000000002e-10 2.239976e-10 2.21766e-10 2.194444e-10 2.170251e-10 2.144996e-10 2.118582e-10 2.090896e-10 2.0618110000000002e-10 2.031176e-10 1.9988180000000002e-10 1.964531e-10 1.928071e-10 1.889143e-10 1.847389e-10 1.8023670000000002e-10 1.753519e-10 1.700137e-10 1.64129e-10 1.575731e-10 1.50173e-10 1.416787e-10 1.317094e-10 1.19643e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.771871 1.19196 1.50979 1.75907 1.96011 2.1269 2.26929 2.3925 2.49975 2.59353 2.6758 2.74801 2.81131 2.86664 2.91488 2.95677 2.9929 3.02367 3.04937 3.07019 3.08627 3.09771 3.10456 3.10683 3.10433 3.09613 3.08114 3.05823 3.02624 2.98407 2.93041 2.86342 2.78058 2.67834 2.55194 2.39534 2.20126 1.96129 1.66538 1.29987 0.8448 0.270917 -0.463603 -1.41869 -2.68147 -4.37864 -6.70153 -9.95106 -14.601 -21.4799 -32.1623 -49.9433 -82.7481 -153.447 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.236673680662214e-19 1.9097304606626398e-19 2.41895026024686e-19 2.8183408515703795e-19 3.14044244206974e-19 3.4076694828546e-19 3.6358034137698593e-19 3.833207596845e-19 4.0050410408415e-19 4.1552931655780195e-19 4.2871042372572e-19 4.402797411998339e-19 4.50421519293054e-19 4.592863626089759e-19 4.67015262691392e-19 4.73726780611218e-19 4.7951544478986e-19 4.84445342292678e-19 4.88562936242058e-19 4.91898667994046e-19 4.9447496802151795e-19 4.96307858090814e-19 4.97405349085104e-19 4.97769043181022e-19 4.97368499022522e-19 4.960547141826419e-19 4.93653051408276e-19 4.89982464739782e-19 4.84857101687616e-19 4.781007228220379e-19 4.69503443003994e-19 4.58770461732828e-19 4.45498030496772e-19 4.2911737659075596e-19 4.08865863936996e-19 3.8377577784855596e-19 3.5268073373588395e-19 3.14233301049786e-19 2.66823292273092e-19 2.08262134123758e-19 1.3535188204031998e-19 4.34056887153378e-20 -7.427738940523019e-20 -2.27299196888946e-19 -4.29618857877198e-19 -7.015354696697759e-19 -1.073703477805002e-18 -1.5943355815532039e-18 -2.3393381033034e-18 -3.44145938806566e-18 -5.15296855556982e-18 -8.00179882848522e-18 -1.3257707232789539e-17 -2.4584919795739798e-17 ] } }