{ "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" [ 2.166495270178176e-19 2.760614404703232e-19 3.1818426600777605e-19 3.5114103909763205e-19 3.78201802222944e-19 4.010536473654144e-19 4.2069312838318083e-19 4.377691268076673e-19 4.527254455628352e-19 4.658825199728449e-19 4.77480676530816e-19 4.877041655481408e-19 4.967019894505536e-19 5.045895049547521e-19 5.114660470112257e-19 5.174101222743936e-19 5.224890221623296e-19 5.267620272100033e-19 5.302788048926593e-19 5.330826139790592e-19 5.352087023548608e-19 5.366939200823424e-19 5.375655041640577e-19 5.378506916025601e-19 5.377129044131712e-19 5.37257886252864e-19 5.364167435269441e-19 5.351013565212673e-19 5.331931641658944e-19 5.305479705649536e-19 5.269687079940864e-19 5.221942216641024e-19 5.158672261885633e-19 5.074894446384001e-19 4.96346306240736e-19 4.813803744258433e-19 4.609606333937472e-19 4.324466960733697e-19 3.912963917447424e-19 3.2899735602155523e-19 2.276324477534016e-19 4.208180981596032e-20 ] } }