{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 9.37326 8.745217 8.355981 8.07318 7.850933 7.667827 7.512117 7.376663 7.256796 7.149296 7.051848 6.962733 6.880636 6.804532 6.733606 6.667198 6.604766 6.545861 6.490106 6.437181 6.386813 6.338765 6.292834 6.24884 6.21889 6.187369 6.154103 6.118887 6.081479 6.041587 5.998857 5.952856 5.903039 5.848717 5.788993 5.722672 5.648115 5.562982 5.463767 5.344871 5.196505 4.99907 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.37326e-10 8.745217e-10 8.355981e-10 8.073180000000001e-10 7.850933e-10 7.667827e-10 7.512117000000001e-10 7.376663e-10 7.256796e-10 7.149296e-10 7.051848e-10 6.962733e-10 6.880636e-10 6.804532e-10 6.733606e-10 6.667198e-10 6.604766e-10 6.545861000000001e-10 6.490106e-10 6.437181e-10 6.386813e-10 6.338765000000001e-10 6.292834000000001e-10 6.248840000000001e-10 6.21889e-10 6.187369e-10 6.154103e-10 6.118887e-10 6.081479e-10 6.041587e-10 5.998857000000001e-10 5.952856e-10 5.903039e-10 5.848717e-10 5.788993e-10 5.722672000000001e-10 5.648115e-10 5.562982e-10 5.463767e-10 5.344871000000001e-10 5.196505e-10 4.99907e-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" [ 0.0127764 0.0711877 0.2214 0.424287 0.639815 0.846444 1.03521 1.20358 1.35195 1.48186 1.59514 1.69353 1.77853 1.85142 1.9133 1.96518 2.00798 2.04263 2.07001 2.09093 2.10616 2.11636 2.12212 2.12394 2.12309 2.12035 2.11538 2.10775 2.09695 2.08229 2.0629 2.0376 2.00484 1.96246 1.90738 1.83512 1.74512 1.62961 1.47962 1.28629 1.04151 0.729018 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0470049377989122e-21 1.1405526862852418e-20 3.5472190384512004e-20 6.797827119093697e-20 1.0250966346371521e-19 1.3561527876164353e-19 1.658589259618368e-19 1.9283477372624642e-19 2.1660626824905602e-19 2.374201447298688e-19 2.5556960149029124e-19 2.713334172623424e-19 2.849519185391424e-19 2.9663018392815364e-19 3.0654445285766403e-19 3.1485654516637443e-19 3.217138611033984e-19 3.272654030944704e-19 3.316521626822208e-19 3.3500391617293444e-19 3.374440311664128e-19 3.3907825131962877e-19 3.400011050532096e-19 3.4029270119819526e-19 3.401565161854272e-19 3.3971751979132805e-19 3.3892123801079043e-19 3.3769877724912e-19 3.35968426498656e-19 3.336196355725632e-19 3.30513015104832e-19 3.26459508254208e-19 3.2121077764446723e-19 3.1442075312551685e-19 3.055959642981504e-19 2.940186360362496e-19 2.7959904644904963e-19 2.610923043021888e-19 2.370612571668096e-19 2.0608637655688321e-19 1.668682972329408e-19 1.1680155957423745e-19 ] } }