{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.0705 5.663754 5.411669 5.228516 5.08458 4.965993 4.865149 4.777423 4.699793 4.630172 4.567061 4.509346 4.456176 4.406889 4.360954 4.317945 4.277512 4.239363 4.203254 4.168977 4.136357 4.105239 4.075492 4.047 4.027603 4.007189 3.985645 3.962838 3.93861 3.912775 3.885101 3.855309 3.823046 3.787865 3.749185 3.706233 3.657947 3.602811 3.538556 3.461554 3.365467 3.2376 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.0705e-10 5.663754e-10 5.411669e-10 5.228516e-10 5.08458e-10 4.965993e-10 4.865149e-10 4.777423e-10 4.699792999999999e-10 4.630172e-10 4.567061e-10 4.509346e-10 4.456176e-10 4.4068889999999996e-10 4.3609540000000006e-10 4.317945e-10 4.277512e-10 4.239363e-10 4.203254e-10 4.168977e-10 4.1363570000000006e-10 4.1052390000000005e-10 4.075492e-10 4.047e-10 4.027603e-10 4.0071890000000005e-10 3.985645e-10 3.962838e-10 3.9386100000000003e-10 3.912775e-10 3.885101e-10 3.8553090000000004e-10 3.8230460000000003e-10 3.787865e-10 3.749185e-10 3.7062330000000003e-10 3.6579470000000004e-10 3.602811e-10 3.538556e-10 3.461554e-10 3.365467e-10 3.2376000000000003e-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" [ 1.35222 1.72304 1.98595 2.19165 2.36055 2.50318 2.62576 2.73234 2.82569 2.90781 2.9802 3.04401 3.10017 3.1494 3.19232 3.22942 3.26112 3.28779 3.30974 3.32724 3.34051 3.34978 3.35522 3.357 3.35614 3.3533 3.34805 3.33984 3.32793 3.31142 3.28908 3.25928 3.21979 3.1675 3.09795 3.00454 2.87709 2.69912 2.44228 2.05344 1.42077 0.262654 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1664952880274798e-19 2.7606144274473597e-19 3.1818426862922997e-19 3.5114104199061e-19 3.7820180533887e-19 4.01053650669612e-19 4.20693131849184e-19 4.37769130414356e-19 4.527254492927459e-19 4.65882523811154e-19 4.774806804646799e-19 4.87704169566234e-19 4.967019935427779e-19 5.0458950911196e-19 5.11466051225088e-19 5.17410126537228e-19 5.22489026467008e-19 5.26762031549886e-19 5.30278809261516e-19 5.3308261837101595e-19 5.35208706764334e-19 5.36693924504052e-19 5.375655085929479e-19 5.378506960338e-19 5.37712908843276e-19 5.372578906792199e-19 5.3641674794637e-19 5.3510136092985595e-19 5.3319316855876195e-19 5.30547974936028e-19 5.269687123356719e-19 5.221942259663519e-19 5.15867230438686e-19 5.074894488195e-19 4.963463103300299e-19 4.81380378391836e-19 4.60960637191506e-19 4.32446699636208e-19 3.912963949685519e-19 3.28997358732096e-19 2.27632449628818e-19 4.20818101626636e-20 ] } }