{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.30708 7.750474 7.405512 7.154879 6.957912 6.795633 6.657634 6.537588 6.431355 6.336083 6.249719 6.17074 6.097982 6.030535 5.967676 5.908821 5.853491 5.801286 5.751873 5.704968 5.660329 5.617746 5.57704 5.53805 5.511507 5.483571 5.454089 5.422879 5.389726 5.354371 5.316502 5.275733 5.231584 5.183441 5.13051 5.071733 5.005657 4.930207 4.842278 4.736906 4.605417 4.43044 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.307079999999999e-10 7.750474e-10 7.405512000000001e-10 7.154879e-10 6.957912000000001e-10 6.795633e-10 6.657634e-10 6.537588000000001e-10 6.431355e-10 6.336083e-10 6.249719e-10 6.170740000000001e-10 6.097982e-10 6.030535000000001e-10 5.967676000000001e-10 5.908821e-10 5.853491e-10 5.801286e-10 5.751873e-10 5.704968000000001e-10 5.660329000000001e-10 5.617746e-10 5.577040000000001e-10 5.53805e-10 5.511507e-10 5.483571000000001e-10 5.454089e-10 5.422879e-10 5.389726e-10 5.354371000000001e-10 5.316502e-10 5.275733e-10 5.231584e-10 5.183441000000001e-10 5.13051e-10 5.071733e-10 5.005657e-10 4.930207e-10 4.842278e-10 4.736906e-10 4.605417e-10 4.43044e-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" [ 2.64248 3.35303 3.76745 4.0591 4.28226 4.46084 4.6075 4.72976 4.83249 4.91999 5.0085 5.09823 5.18508 5.26672 5.34191 5.40989 5.46998 5.52183 5.56532 5.60049 5.62747 5.64646 5.65766 5.66134 5.65954 5.6536 5.64253 5.6251 5.60045 5.56734 5.52318 5.46445 5.38637 5.28216 5.14209 4.95041 4.65959 4.20942 3.50777 2.38141 0.462646 -3.18834 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.233719676931584e-19 5.372146274841024e-19 6.03612031003296e-19 6.503395121489281e-19 6.860936856187008e-19 7.147053557129472e-19 7.382028780336e-19 7.577910893995008e-19 7.742502498249792e-19 7.882692952569793e-19 8.0245016052768e-19 8.168264913461185e-19 8.307413952977665e-19 8.438215652299777e-19 8.55868331241773e-19 8.667599279099713e-19 8.763874072243584e-19 8.846946930032063e-19 8.916625591270657e-19 8.972974143024192e-19 9.016200868253376e-19 9.046626202282368e-19 9.064570580435327e-19 9.070466590399873e-19 9.067582672482432e-19 9.05806574335488e-19 9.040329648162625e-19 9.012403709662081e-19 8.972910055959362e-19 8.919861988044671e-19 8.849109868470144e-19 8.755014035530562e-19 8.629916084978497e-19 8.462953259324929e-19 8.238536380049472e-19 7.931431165374528e-19 7.4654861605134715e-19 6.744234311127936e-19 5.620067085143616e-19 3.815439426539328e-19 7.412406049066368e-20 -5.108283807161473e-19 ] } }