{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.89971 8.303397 7.933825 7.665312 7.454293 7.280438 7.132595 7.003984 6.890173 6.788104 6.695579 6.610966 6.533017 6.460758 6.393415 6.330362 6.271084 6.215155 6.162217 6.111966 6.064142 6.018522 5.974911 5.93314 5.890911 5.847395 5.802509 5.756164 5.708264 5.658699 5.60735 5.554083 5.49875 5.441184 5.381197 5.318577 5.253081 5.184434 5.112315 5.036355 4.956123 4.871107 4.780703 4.68418 4.580649 4.469013 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.899710000000001e-10 8.303397000000001e-10 7.933825e-10 7.665312e-10 7.454293e-10 7.280438000000001e-10 7.132595e-10 7.003984e-10 6.890173e-10 6.788104e-10 6.695579000000001e-10 6.610966000000001e-10 6.533017e-10 6.460758e-10 6.393415e-10 6.330362e-10 6.271084e-10 6.215155000000001e-10 6.162217e-10 6.111966e-10 6.064142000000001e-10 6.018522e-10 5.974911e-10 5.93314e-10 5.890911e-10 5.847395e-10 5.802509e-10 5.756164e-10 5.708264e-10 5.658699000000001e-10 5.60735e-10 5.554083e-10 5.49875e-10 5.441184e-10 5.381197e-10 5.318577000000001e-10 5.253081e-10 5.184434000000001e-10 5.112315e-10 5.036355e-10 4.956123e-10 4.871107e-10 4.780703e-10 4.68418e-10 4.5806490000000003e-10 4.4690130000000003e-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" [ 0.0876752 0.148869 0.207328 0.260626 0.309574 0.354559 0.397698 0.438279 0.475341 0.509406 0.540586 0.568981 0.594681 0.617769 0.63832 0.656405 0.672092 0.685442 0.696517 0.705375 0.712073 0.716664 0.719444 0.720416 0.719354 0.715884 0.709437 0.699429 0.685199 0.665899 0.640509 0.607802 0.566434 0.515667 0.452488 0.374291 0.278117 0.160869 0.0189493 -0.151268 -0.352781 -0.585208 -0.841798 -1.10941 -1.34402 -1.44414 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.404711568212768e-20 2.38514433326946e-20 3.32176077173952e-20 4.17568887412884e-20 4.95992229293916e-20 5.68066145174406e-20 6.371824429885319e-20 7.02200372972886e-20 7.615802433821939e-20 8.16158390419404e-20 8.661142578675239e-20 9.116080633899539e-20 9.52784002883754e-20 9.89775057009546e-20 1.0227013890148799e-19 1.05167675344077e-19 1.076810098298328e-19 1.0981991563622279e-19 1.115943262583778e-19 1.1301353432077498e-19 1.1408667223022819e-19 1.1482223152289758e-19 1.152676366271496e-19 1.1542336819597438e-19 1.152532170374436e-19 1.146972617454456e-19 1.1366433846950579e-19 1.120608800941986e-19 1.097809827440166e-19 1.066887818403966e-19 1.0262085536667059e-19 9.738061624984679e-20 9.075273195031559e-20 8.261896183248779e-20 7.249657007653919e-20 5.99680294516494e-20 4.45592558918178e-20 2.57740552934946e-20 3.0360125690656196e-21 -2.4235805507191202e-20 -5.652174751191539e-20 -9.376065836298718e-20 -1.348709086147932e-19 -1.7774707795259399e-19 -2.1533574396286798e-19 -2.3137673642247596e-19 ] } }