{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28208 4.928162 4.708817 4.549452 4.42421 4.321025 4.233279 4.156947 4.089399 4.02882 3.973906 3.923687 3.877423 3.834537 3.794568 3.757145 3.721963 3.688769 3.65735 3.627525 3.599141 3.572065 3.546182 3.52139 3.504512 3.486749 3.468003 3.448158 3.427077 3.404597 3.380518 3.354595 3.326522 3.29591 3.262254 3.22488 3.182865 3.13489 3.078979 3.011978 2.92837 2.81711 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28208e-10 4.928162000000001e-10 4.708817e-10 4.549452e-10 4.4242100000000007e-10 4.321025e-10 4.233279e-10 4.156947e-10 4.0893990000000006e-10 4.02882e-10 3.973906e-10 3.923687e-10 3.877423e-10 3.8345370000000005e-10 3.794568e-10 3.7571450000000003e-10 3.7219630000000003e-10 3.688769e-10 3.6573500000000003e-10 3.627525e-10 3.599141e-10 3.5720649999999997e-10 3.546182e-10 3.52139e-10 3.5045120000000004e-10 3.486749e-10 3.468003e-10 3.448158e-10 3.4270770000000004e-10 3.404597e-10 3.380518e-10 3.3545950000000004e-10 3.326522e-10 3.29591e-10 3.262254e-10 3.22488e-10 3.182865e-10 3.13489e-10 3.078979e-10 3.0119780000000003e-10 2.92837e-10 2.81711e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.53806 2.02419 2.38667 2.67978 2.92613 3.13776 3.322 3.48376 3.6265 3.75278 3.86457 3.96343 4.05063 4.12719 4.19398 4.25173 4.30109 4.34259 4.37672 4.40389 4.42448 4.43884 4.44725 4.45 4.44867 4.44427 4.4361 4.42327 4.4046 4.37859 4.34325 4.29586 4.23275 4.14872 4.03626 3.88421 3.67523 3.38107 2.95269 2.2975 1.21877 -0.783531 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.46424379369004e-19 3.2431099207764596e-19 3.8238669070687797e-19 4.2934809002605197e-19 4.68817711404642e-19 5.02724575509984e-19 5.322430778147999e-19 5.58159887046384e-19 5.810293563201e-19 6.01261642854252e-19 6.1917237544573795e-19 6.35011493649462e-19 6.48982473897942e-19 6.612487382078459e-19 6.719496759463319e-19 6.81202246007682e-19 6.89110589873106e-19 6.95759622904206e-19 7.012278517560479e-19 7.055809656706259e-19 7.088798473600319e-19 7.11180573006456e-19 7.1252800355565e-19 7.1296860213e-19 7.12755512637678e-19 7.120505549187181e-19 7.107415766087399e-19 7.086859839873179e-19 7.0569472021164e-19 7.01527458786606e-19 6.9586536656205e-19 6.88272651493524e-19 6.7816131475635e-19 6.64698224500848e-19 6.46680146074884e-19 6.22319050354914e-19 5.88836763057582e-19 5.41707135191838e-19 4.73073092544546e-19 3.6810008166149996e-19 1.9526848162201797e-19 -1.2553550602146538e-19 ] } }