{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.52205 7.951042 7.597154 7.340035 7.137971 6.971493 6.829924 6.706771 6.59779 6.500052 6.411454 6.330432 6.25579 6.186598 6.122113 6.061735 6.004973 5.951418 5.900726 5.852607 5.806813 5.763129 5.721368 5.68137 5.640933 5.599263 5.556282 5.511904 5.466037 5.418575 5.369405 5.318399 5.265414 5.210291 5.15285 5.092887 5.030171 4.964436 4.895378 4.822641 4.745813 4.664406 4.577838 4.485411 4.386274 4.279375 4.163396 4.036649 3.896928 3.741271 3.56557 3.363887 3.127185 2.84069 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.522050000000001e-10 7.951042000000001e-10 7.597154e-10 7.340035e-10 7.137971000000001e-10 6.971493e-10 6.829924000000001e-10 6.706771e-10 6.59779e-10 6.500052e-10 6.411454e-10 6.330432e-10 6.25579e-10 6.186598000000001e-10 6.122113e-10 6.061735e-10 6.004973e-10 5.951418e-10 5.900726e-10 5.852607e-10 5.806813e-10 5.763129e-10 5.721368000000001e-10 5.68137e-10 5.640933000000001e-10 5.599263e-10 5.556282e-10 5.511904000000001e-10 5.466037e-10 5.418575e-10 5.369405000000001e-10 5.318399000000001e-10 5.265414e-10 5.210291e-10 5.15285e-10 5.092887e-10 5.030171e-10 4.964436e-10 4.895378e-10 4.822641e-10 4.745813e-10 4.664406e-10 4.577838e-10 4.485411e-10 4.3862740000000006e-10 4.279375e-10 4.1633959999999996e-10 4.036649e-10 3.896928e-10 3.741271e-10 3.5655700000000003e-10 3.363887e-10 3.127185e-10 2.84069e-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" [ 0.389403 0.561056 0.696381 0.809853 0.90725 0.992131 1.06747 1.13425 1.19361 1.24642 1.29336 1.33499 1.37176 1.40415 1.433 1.458 1.4794 1.49741 1.5122 1.52394 1.53303 1.53944 1.54321 1.54445 1.54311 1.53876 1.53082 1.51859 1.50124 1.47775 1.44687 1.40739 1.35719 1.29395 1.21475 1.11643 0.994249 0.841998 0.651949 0.413935 0.115175 -0.262803 -0.745016 -1.36657 -2.17804 -3.25287 -4.7019 -6.70022 -9.5289 -13.6792 -20.0494 -30.4166 -48.7262 -85.1671 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.23892387809502e-20 8.98910813565504e-20 1.115725366561554e-19 1.297527553574802e-19 1.4535747511964999e-19 1.5895691060670538e-19 1.7102754914959797e-19 1.8172688471144997e-19 1.9123740521087399e-19 1.99698500015028e-19 2.07219117135024e-19 2.1388897846236597e-19 2.19780181945584e-19 2.2496963206311e-19 2.295919116522e-19 2.335973532372e-19 2.3702601123396e-19 2.39911531351794e-19 2.4228115059347996e-19 2.44162105961796e-19 2.4561848452210197e-19 2.46645479744496e-19 2.4724950033551397e-19 2.4744817023813e-19 2.47233478569174e-19 2.46536531733384e-19 2.45264403485988e-19 2.43304941462606e-19 2.40525165002616e-19 2.3676165208935e-19 2.31814130643558e-19 2.25488737292526e-19 2.17445810589846e-19 2.0731364555642998e-19 1.9462440661515e-19 1.78871805949662e-19 1.5929625161778659e-19 1.349029521474732e-19 1.044537454359666e-19 6.631969849947899e-20 1.8453069382095e-20 -4.21056825945102e-20 -1.193647227156144e-19 -2.18948652272538e-19 -3.48960479591736e-19 -5.2116723074395795e-19 -7.5332743154046e-19 -1.0734935926659479e-18 -1.52669809277226e-18 -2.1916494611812797e-18 -3.2122680205719594e-18 -4.8732765805724394e-18 -7.806797910361079e-18 -1.364527376055414e-17 ] } }