{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.78348 9.127951 8.72168 8.426502 8.194529 8.003409 7.840884 7.699502 7.574389 7.462184 7.360472 7.267456 7.181766 7.102332 7.028302 6.958987 6.893823 6.83234 6.774145 6.718904 6.666331 6.616181 6.568239 6.52232 6.475898 6.42806 6.378716 6.32777 6.275113 6.220626 6.164177 6.105621 6.044794 5.981511 5.915568 5.846729 5.774729 5.699265 5.619984 5.536482 5.448282 5.354824 5.255442 5.149334 5.035523 4.912801 4.779654 4.634146 4.473743 4.295046 4.093337 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.78348e-10 9.127951e-10 8.72168e-10 8.426501999999999e-10 8.194529e-10 8.003409e-10 7.840884e-10 7.699502e-10 7.574389e-10 7.462184e-10 7.360472e-10 7.267456e-10 7.181765999999999e-10 7.102332e-10 7.028302e-10 6.958986999999999e-10 6.893823000000001e-10 6.832340000000001e-10 6.774145e-10 6.718904000000001e-10 6.666331e-10 6.616181000000001e-10 6.568239e-10 6.522319999999999e-10 6.475898e-10 6.42806e-10 6.378716e-10 6.32777e-10 6.275113e-10 6.220626e-10 6.164177e-10 6.105621000000001e-10 6.044794e-10 5.981511000000001e-10 5.915568000000001e-10 5.846729e-10 5.774729e-10 5.699264999999999e-10 5.619984e-10 5.536482000000001e-10 5.448282e-10 5.354824e-10 5.255442e-10 5.149333999999999e-10 5.035523000000001e-10 4.912801e-10 4.779654e-10 4.634146e-10 4.473743e-10 4.2950460000000003e-10 4.093337e-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" [ 1.10192 1.62119 2.08245 2.45566 2.76714 3.04008 3.28656 3.51108 3.71335 3.8926 4.04973 4.18679 4.30597 4.40922 4.4981 4.57392 4.6378 4.69071 4.73352 4.76704 4.79201 4.80912 4.81898 4.82215 4.8188 4.80811 4.78901 4.76027 4.72055 4.6684 4.60233 4.52076 4.42115 4.30012 4.15353 3.97618 3.76164 3.5015 3.18424 2.7961 2.3198 1.73291 1.00497 0.0919238 -1.07165 -2.58088 -4.57705 -7.27702 -11.0209 -16.3836 -24.414 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.76547047653728e-19 2.5974327372744596e-19 3.3364527314733e-19 3.9344010730484395e-19 4.43344705100676e-19 4.87074514149072e-19 5.26564963823904e-19 5.62537033610472e-19 5.949442603863899e-19 6.236632765508399e-19 6.48838278000882e-19 6.70797710946486e-19 6.89892452070498e-19 7.06434925816548e-19 7.2067507173954e-19 7.328227749785279e-19 7.4305747931652e-19 7.51534595887014e-19 7.58393514057168e-19 7.637640101343359e-19 7.67764645189434e-19 7.70505969410208e-19 7.720857155713319e-19 7.725936055643099e-19 7.7205687639192e-19 7.703441495701739e-19 7.67283992199234e-19 7.62679336553118e-19 7.5631549096287e-19 7.4796013981656e-19 7.37374558795722e-19 7.243056039921839e-19 7.0834632254090995e-19 6.889551787396079e-19 6.65468871461802e-19 6.37054268857812e-19 6.02681171351976e-19 5.610021483951e-19 5.10171492504816e-19 4.4798460863274e-19 3.7167293555531996e-19 2.77642791082494e-19 1.6101394518709798e-19 1.4727816446848918e-20 -1.7169725898260998e-19 -4.13502563115792e-19 -7.333242562649699e-19 -1.165907140915068e-18 -1.7657428465650598e-18 -2.62494211008024e-18 -3.9115540342476e-18 ] } }