{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.03171 7.493555 7.160028 6.917703 6.727265 6.570365 6.436942 6.320874 6.218163 6.126049 6.042548 5.966187 5.895841 5.830629 5.769854 5.712951 5.659454 5.60898 5.561205 5.515855 5.472695 5.431525 5.392167 5.35447 5.31636 5.277088 5.236579 5.194755 5.151527 5.106796 5.060455 5.012384 4.962448 4.910496 4.85636 4.799848 4.74074 4.678788 4.613703 4.545152 4.472745 4.396021 4.314434 4.227325 4.133892 4.033145 3.923839 3.804385 3.672703 3.526003 3.360411 3.170333 2.94725 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.03171e-10 7.493555e-10 7.160028e-10 6.917703000000001e-10 6.727265e-10 6.570365e-10 6.436942000000001e-10 6.320874e-10 6.218163e-10 6.126049e-10 6.042548e-10 5.966187e-10 5.895841e-10 5.830629e-10 5.769854e-10 5.712951000000001e-10 5.659454000000001e-10 5.60898e-10 5.561205e-10 5.515855000000001e-10 5.472695e-10 5.431525e-10 5.392167e-10 5.35447e-10 5.316360000000001e-10 5.277088000000001e-10 5.236579e-10 5.194755e-10 5.151527e-10 5.106796e-10 5.060455e-10 5.012384e-10 4.962448e-10 4.910496000000001e-10 4.85636e-10 4.799848e-10 4.74074e-10 4.678788e-10 4.613703e-10 4.545152e-10 4.472745e-10 4.396021e-10 4.3144340000000006e-10 4.2273250000000007e-10 4.1338920000000006e-10 4.033145e-10 3.9238390000000005e-10 3.804385e-10 3.672703e-10 3.5260030000000005e-10 3.360411e-10 3.170333e-10 2.94725e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.649243 0.94912 1.17489 1.36569 1.52624 1.66117 1.77525 1.87194 1.95468 2.02672 2.09028 2.14651 2.19605 2.23942 2.27707 2.30946 2.33699 2.36004 2.37892 2.39392 2.40529 2.41322 2.41788 2.4194 2.41775 2.41236 2.40253 2.38743 2.36607 2.3373 2.29969 2.25148 2.19043 2.11359 2.01723 1.89676 1.74678 1.56115 1.33251 1.05078 0.70168 0.265141 -0.288039 -0.999431 -1.92545 -3.1494 -4.80422 -7.0964 -10.3691 -15.2201 -22.7484 -35.2722 -58.4246 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0402019643880619e-19 1.5206578868620798e-19 1.8823813055202598e-19 2.18807660728746e-19 2.4453060658761597e-19 2.66148775910178e-19 2.8442640695084997e-19 2.9991785282499595e-19 3.1317426229471195e-19 3.24716342766048e-19 3.3489977745175194e-19 3.43908816664734e-19 3.5184599970956996e-19 3.5879463977122795e-19 3.64826834798238e-19 3.7001628491576397e-19 3.74427077189166e-19 3.78120094330536e-19 3.8114500381552797e-19 3.83548268766528e-19 3.8536994359938597e-19 3.8664046967014795e-19 3.8738708398159194e-19 3.8763061482996e-19 3.8736625568534993e-19 3.8650268247962397e-19 3.8492774284840197e-19 3.82508456131062e-19 3.79086206840838e-19 3.7447674466481997e-19 3.68450958344346e-19 3.60726864791832e-19 3.5094557644126197e-19 3.3863445118560596e-19 3.23195877140382e-19 3.03894455230584e-19 2.7986501007385198e-19 2.5012380521690997e-19 2.13491638657134e-19 1.68353516347452e-19 1.1242153005451198e-19 4.24802714915394e-20 -4.6148935548072594e-20 -1.6012649954952538e-19 -3.0849109999353e-19 -5.0458950911196e-19 -7.697209028595479e-19 -1.13696862655176e-18 -1.6613129735609398e-18 -2.43852885871434e-18 -3.64469549408856e-18 -5.65122946697748e-18 -9.36065289707964e-18 ] } }