{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.9641 8.363473 7.991228 7.720773 7.508227 7.333114 7.184201 7.05466 6.940026 6.837219 6.744025 6.658799 6.580286 6.507505 6.439675 6.376165 6.316459 6.260126 6.206804 6.15619 6.10802 6.062069 6.018143 5.97607 5.933536 5.889704 5.844493 5.797813 5.749566 5.699642 5.647922 5.59427 5.538536 5.480554 5.420133 5.357059 5.29109 5.221945 5.149304 5.072795 4.991982 4.906351 4.815293 4.718071 4.613791 4.501347 4.379351 4.246029 4.09906 3.935329 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.9641e-10 8.363473000000001e-10 7.991228000000001e-10 7.720773000000001e-10 7.508227e-10 7.333114000000001e-10 7.184201e-10 7.05466e-10 6.940026e-10 6.837219000000001e-10 6.744025e-10 6.658799e-10 6.580286e-10 6.507505e-10 6.439675e-10 6.376165e-10 6.316459e-10 6.260126e-10 6.206804e-10 6.15619e-10 6.10802e-10 6.062069000000001e-10 6.018143e-10 5.97607e-10 5.933536e-10 5.889704e-10 5.844493e-10 5.797812999999999e-10 5.749566e-10 5.699642e-10 5.647922e-10 5.59427e-10 5.538536e-10 5.480553999999999e-10 5.420133e-10 5.357058999999999e-10 5.291089999999999e-10 5.221945e-10 5.149304e-10 5.072795000000001e-10 4.991982e-10 4.906351e-10 4.815293e-10 4.718071000000001e-10 4.6137910000000004e-10 4.501347e-10 4.379351e-10 4.246029e-10 4.09906e-10 3.935329e-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" [ 0.0606117 0.404412 1.02717 1.64832 2.13408 2.49324 2.76133 2.96719 3.13052 3.2642 3.3764 3.47226 3.55502 3.62677 3.68891 3.74241 3.788 3.82627 3.85767 3.88263 3.9015 3.91462 3.92228 3.92478 3.9221 3.91347 3.89788 3.87414 3.84093 3.79669 3.73966 3.66786 3.5791 3.47102 3.34117 3.18725 3.00748 2.80122 2.56948 2.30973 2.01144 1.64871 1.17745 0.529923 -0.392159 -1.71701 -3.60761 -6.2818 -10.1002 -15.7872 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.711064948701779e-21 6.479394569092079e-20 1.6457077731457797e-19 2.6408997893548797e-19 3.4191731110867196e-19 3.99461087095416e-19 4.42413840476322e-19 4.753962486638459e-19 5.01564599626968e-19 5.2298249687028e-19 5.4095891870375995e-19 5.563173839172839e-19 5.69576997740268e-19 5.81072615089218e-19 5.91028540692894e-19 5.99600185684794e-19 6.069045089591999e-19 6.13036038937518e-19 6.18066873568278e-19 6.220659064467419e-19 6.250892137551e-19 6.27191269498908e-19 6.28418536800552e-19 6.28819080959052e-19 6.283896976211399e-19 6.270070191859979e-19 6.245092258135919e-19 6.207056584844759e-19 6.15384829882962e-19 6.08296800454146e-19 5.991595871104439e-19 5.87655958878324e-19 5.7343503907494e-19 5.56118714014668e-19 5.35314450422178e-19 5.1065374767165e-19 4.81851418322232e-19 4.48804923069348e-19 4.1167608175303197e-19 3.70059543684882e-19 3.2226821686929597e-19 2.64152463824214e-19 1.8864828777033e-19 8.49030248419182e-20 -6.28307986612806e-20 -2.7509533023443397e-19 -5.78002844658474e-19 -1.0064553179461198e-18 -1.6182304438726798e-18 -2.52938829562848e-18 ] } }