{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.1015 7.55867 7.222245 6.977815 6.785722 6.627459 6.492876 6.3758 6.272197 6.179283 6.095057 6.018032 5.947074 5.881296 5.819993 5.762595 5.708634 5.657722 5.609531 5.563787 5.520253 5.478724 5.439025 5.401 5.362559 5.322945 5.282085 5.239897 5.196293 5.151173 5.104429 5.05594 5.00557 4.953167 4.898561 4.841557 4.781936 4.719445 4.653794 4.584647 4.511611 4.43422 4.351925 4.264059 4.169813 4.06819 3.957934 3.837441 3.704615 3.55664 3.389609 3.197879 2.972857 2.7005 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1015e-10 7.558670000000001e-10 7.222245e-10 6.977815e-10 6.785722e-10 6.627459e-10 6.492876e-10 6.3758e-10 6.272197e-10 6.179283e-10 6.095057e-10 6.018032e-10 5.947074e-10 5.881296e-10 5.819993e-10 5.762595000000001e-10 5.708634e-10 5.657722e-10 5.609531e-10 5.563787e-10 5.520253000000001e-10 5.478724e-10 5.439025e-10 5.401e-10 5.362559e-10 5.322945e-10 5.282085e-10 5.239897e-10 5.196293e-10 5.151173e-10 5.104428999999999e-10 5.055939999999999e-10 5.00557e-10 4.953167e-10 4.898561e-10 4.841557e-10 4.781936e-10 4.719445e-10 4.6537940000000007e-10 4.5846470000000004e-10 4.5116110000000006e-10 4.43422e-10 4.351925e-10 4.2640589999999996e-10 4.1698130000000004e-10 4.0681900000000004e-10 3.957934e-10 3.837441e-10 3.704615e-10 3.5566399999999997e-10 3.389609e-10 3.197879e-10 2.972857e-10 2.7005e-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" [ 0.580909 0.78963 0.946841 1.0739 1.18001 1.27053 1.34985 1.41906 1.47971 1.53353 1.581 1.62275 1.65937 1.69133 1.71904 1.74283 1.76321 1.78028 1.7942 1.80517 1.81335 1.81911 1.82261 1.82376 1.82252 1.81854 1.81129 1.80018 1.78449 1.76335 1.73617 1.70137 1.65731 1.60211 1.53364 1.44866 1.34341 1.21306 1.05157 0.850821 0.600569 0.28644 -0.111496 -0.618016 -1.27183 -2.12923 -3.27401 -4.8357 -7.02067 -10.1845 -14.9666 -22.6245 -35.8887 -61.7058 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.307188262803059e-20 1.26512673550542e-19 1.517006526313194e-19 1.7205774872526e-19 1.8905844498863398e-19 2.0356134787960197e-19 2.1626981294049e-19 2.2735847742440397e-19 2.37075678709614e-19 2.45698593353802e-19 2.533041258354e-19 2.5999321328235e-19 2.65860384116058e-19 2.7098094063832197e-19 2.7542057209113596e-19 2.79232150303422e-19 2.8249738628351396e-19 2.85232301797752e-19 2.8746253167228e-19 2.8922011943977796e-19 2.9053069992639e-19 2.91453553667574e-19 2.9201431548947397e-19 2.92198565802384e-19 2.91999895899768e-19 2.91362229599436e-19 2.90200651539786e-19 2.8842063329941197e-19 2.8590681816066595e-19 2.8251981675638996e-19 2.78165100665178e-19 2.7258952597885797e-19 2.65530335729454e-19 2.56686320709774e-19 2.45716217296776e-19 2.32100920261044e-19 2.15238011188194e-19 1.94353638764004e-19 1.6848008830153798e-19 1.363165525916514e-19 9.62217618904746e-20 4.589274750429599e-20 -1.7863628598446398e-20 -9.90170794638144e-20 -2.0376963084202198e-19 -3.41140255441182e-19 -5.24554232148234e-19 -7.7476455490338e-19 -1.124835342902478e-18 -1.6317367928973e-18 -2.3979136810424396e-18 -3.6248445255933e-18 -5.7500036564635795e-18 -9.88635909422772e-18 ] } }