{ "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" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" [ 5.79261 5.404484 5.163939 4.98917 4.851823 4.738664 4.642437 4.558727 4.48465 4.418216 4.357994 4.302921 4.252185 4.205154 4.161322 4.120282 4.0817 4.045297 4.010841 3.978134 3.947006 3.917313 3.888928 3.86174 3.843231 3.823751 3.803193 3.78143 3.758312 3.733659 3.707252 3.678823 3.648037 3.614467 3.577557 3.536572 3.490496 3.437884 3.37657 3.303093 3.211404 3.08939 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.79261e-10 5.404484e-10 5.163939e-10 4.989169999999999e-10 4.851823000000001e-10 4.738664e-10 4.6424370000000003e-10 4.5587270000000003e-10 4.4846500000000006e-10 4.418216e-10 4.357994e-10 4.3029210000000007e-10 4.252185e-10 4.2051540000000004e-10 4.161322e-10 4.1202819999999997e-10 4.0817e-10 4.045297e-10 4.0108410000000004e-10 3.978134e-10 3.9470060000000003e-10 3.917313e-10 3.888928e-10 3.8617400000000006e-10 3.843231e-10 3.823751e-10 3.803193e-10 3.7814299999999997e-10 3.758312e-10 3.733659e-10 3.707252e-10 3.678823e-10 3.648037e-10 3.614467e-10 3.5775570000000004e-10 3.5365720000000003e-10 3.490496e-10 3.437884e-10 3.3765700000000003e-10 3.303093e-10 3.211404e-10 3.08939e-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 0 0 0.083229 0.540737 1.19776 1.89728 2.55296 3.12489 3.59995 3.97913 4.26999 4.48261 4.62745 4.71433 4.76696 4.81115 4.84782 4.8776 4.90104 4.91859 4.93069 4.93771 4.93998 4.93889 4.93533 4.92875 4.91849 4.90371 4.88331 4.85586 4.81946 4.77155 4.7086 4.62555 4.51507 4.36597 4.16044 3.86839 3.43465 2.74625 1.49498 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.3334755907118598e-20 8.66356186539258e-20 1.9190230851398397e-19 3.03977768415552e-19 4.09029285953664e-19 5.00662574182026e-19 5.7677557735683e-19 6.375269109648419e-19 6.841278205413659e-19 7.18193300133474e-19 7.413992265003299e-19 7.55318937096522e-19 7.637511927212639e-19 7.708312112669098e-19 7.767063929837879e-19 7.8147767499984e-19 7.852331770299359e-19 7.88044997022606e-19 7.89983630749746e-19 7.9110835874681395e-19 7.91472052842732e-19 7.912974155896259e-19 7.907270407079221e-19 7.896728084827499e-19 7.88028975256266e-19 7.85660958191214e-19 7.823925178578539e-19 7.77994542997524e-19 7.72162620049764e-19 7.6448659179627e-19 7.544008898852399e-19 7.410948129398699e-19 7.233939654874379e-19 6.995055118744979e-19 6.66575975515896e-19 6.19784406919926e-19 5.5029159759681e-19 4.3999775811225e-19 2.39522202429732e-19 ] } }