{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.75502 8.168401 7.804838 7.540691 7.333103 7.162073 7.016634 6.890114 6.778153 6.677744 6.586724 6.503486 6.426804 6.35572 6.289472 6.227444 6.16913 6.11411 6.062033 6.012599 5.965552 5.920674 5.877772 5.83668 5.808706 5.779264 5.748192 5.715298 5.680357 5.643096 5.603185 5.560218 5.513687 5.462948 5.407163 5.345216 5.275577 5.196058 5.103387 4.992333 4.853753 4.66934 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.75502e-10 8.168401e-10 7.804838e-10 7.540691e-10 7.333103e-10 7.162073e-10 7.016634e-10 6.890114e-10 6.778153e-10 6.677744e-10 6.586724e-10 6.503486e-10 6.426804e-10 6.35572e-10 6.289472e-10 6.227444e-10 6.16913e-10 6.114110000000001e-10 6.062033e-10 6.012599e-10 5.965552e-10 5.920674e-10 5.877772e-10 5.836680000000001e-10 5.808706e-10 5.779264000000001e-10 5.748192e-10 5.715298e-10 5.680357e-10 5.643096e-10 5.603185e-10 5.560218e-10 5.513687e-10 5.462948e-10 5.407163e-10 5.345216e-10 5.275577000000001e-10 5.196058e-10 5.103387e-10 4.992333000000001e-10 4.853753000000001e-10 4.66934e-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" [ 0.602082 0.913302 1.17949 1.38024 1.5154 1.63644 1.74928 1.85079 1.9417 2.02522 2.10316 2.17364 2.23416 2.28468 2.32711 2.36407 2.39799 2.42994 2.45953 2.48544 2.50632 2.52137 2.53036 2.53334 2.53183 2.52671 2.51677 2.5004 2.47543 2.43909 2.388 2.31838 2.22637 2.10677 1.94965 1.73309 1.41091 0.906507 0.0931808 -1.28066 -3.75949 -8.72681 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.646417121519879e-20 1.4632711241854678e-19 1.8897513180366598e-19 2.2113882773121595e-19 2.4279384711636e-19 2.6218659309429595e-19 2.8026555423235197e-19 2.9652924924408597e-19 3.1109463702378e-19 3.2447601627094797e-19 3.36963380956344e-19 3.4825552187277595e-19 3.57951894861744e-19 3.6604609121671197e-19 3.7284412667477393e-19 3.7876577151403794e-19 3.84200354656566e-19 3.89319309002196e-19 3.9406014966220196e-19 3.98211389320896e-19 4.0155673413268797e-19 4.03968009966858e-19 4.0540836676082396e-19 4.0588581539775596e-19 4.0564388672602195e-19 4.04823572289414e-19 4.0323100871521802e-19 4.0060824556535995e-19 3.9660761051026193e-19 3.90785300622306e-19 3.8259978019919996e-19 3.71445426473292e-19 3.56703799263858e-19 3.37541766721218e-19 3.1236836744781e-19 2.7767163026190596e-19 2.26052703467694e-19 1.4523843339574378e-19 1.4929210049742717e-20 -2.0518435280984398e-19 -6.023367033756659e-19 -1.398189107135754e-18 ] } }