{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.075 5.667953 5.415681 5.232392 5.088349 4.969674 4.868755 4.780965 4.703277 4.633604 4.570446 4.512688 4.45948 4.410155 4.364187 4.321146 4.280683 4.242506 4.20637 4.172068 4.139423 4.108282 4.078513 4.05 4.021174 3.99147 3.96083 3.929195 3.896498 3.862665 3.827613 3.791253 3.753483 3.714188 3.67324 3.630495 3.585788 3.538928 3.489699 3.437849 3.383082 3.32505 3.263339 3.197452 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.075e-10 5.667953e-10 5.415681e-10 5.232392e-10 5.088349e-10 4.969674000000001e-10 4.868755e-10 4.780965000000001e-10 4.703277000000001e-10 4.633604e-10 4.5704459999999997e-10 4.512688e-10 4.4594800000000003e-10 4.4101549999999995e-10 4.3641870000000003e-10 4.321146e-10 4.280683e-10 4.242506e-10 4.20637e-10 4.1720680000000007e-10 4.139423e-10 4.108282e-10 4.0785130000000005e-10 4.05e-10 4.0211740000000005e-10 3.9914700000000004e-10 3.96083e-10 3.929195e-10 3.896498e-10 3.8626649999999997e-10 3.8276130000000003e-10 3.791253e-10 3.7534830000000003e-10 3.7141880000000003e-10 3.67324e-10 3.630495e-10 3.585788e-10 3.538928e-10 3.489699e-10 3.437849e-10 3.383082e-10 3.3250500000000003e-10 3.2633390000000005e-10 3.1974520000000003e-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" [ 0.467798 1.398 1.85195 2.06243 2.23513 2.38931 2.52724 2.64988 2.75733 2.85157 2.93558 3.01059 3.07648 3.133 3.18109 3.22201 3.2567 3.28568 3.30965 3.32872 3.34298 3.35269 3.35822 3.36 3.35825 3.35327 3.34537 3.33442 3.31864 3.29531 3.26112 3.2125 3.14631 3.05977 2.95037 2.81571 2.65384 2.46283 2.23817 1.97384 1.66742 1.33618 1.03316 0.831359 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.49495025031932e-20 2.2398429343319997e-19 2.9671510173363e-19 3.30437715526062e-19 3.5810730599524195e-19 3.8280966533825396e-19 4.0490848765101597e-19 4.2455758189039196e-19 4.41772969822722e-19 4.56871882421538e-19 4.70331768323772e-19 4.82349695255406e-19 4.92906437096832e-19 5.019619394322e-19 5.09666806865106e-19 5.162229136514339e-19 5.2178086439478e-19 5.26423972280112e-19 5.3026438967180995e-19 5.33319740512848e-19 5.35604444392932e-19 5.37160157904546e-19 5.38046161583148e-19 5.38331349024e-19 5.3805096811305e-19 5.37253084149318e-19 5.35987364608458e-19 5.34232981194228e-19 5.31704746465776e-19 5.27966868378654e-19 5.22489026467008e-19 5.146992436725e-19 5.04094436532054e-19 4.90229199941418e-19 4.72701387565458e-19 4.51126477012014e-19 4.25192043837456e-19 3.9458886795142193e-19 3.58594367691978e-19 3.1624403272545597e-19 2.67150136306428e-19 2.1407963748181196e-19 1.65530481118344e-19 1.3319839642656058e-19 ] } }