{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.06981 8.462099 8.085464 7.811819 7.596767 7.419588 7.26892 7.137851 7.021864 6.917845 6.823552 6.737321 6.657882 6.584242 6.515612 6.451354 6.390943 6.333946 6.279996 6.228784 6.180046 6.133554 6.089109 6.04654 6.003504 5.959156 5.913412 5.866182 5.817366 5.766853 5.714523 5.660238 5.603848 5.545181 5.484048 5.420231 5.353483 5.283524 5.210026 5.132615 5.050849 4.964209 4.872077 4.773709 4.668199 4.554429 4.430995 4.296101 4.1474 3.981738 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.069810000000001e-10 8.462099000000001e-10 8.085464000000001e-10 7.811819e-10 7.596767e-10 7.419588e-10 7.26892e-10 7.137851000000001e-10 7.021864e-10 6.917845000000001e-10 6.823552e-10 6.737321e-10 6.657882e-10 6.584242e-10 6.515612e-10 6.451354000000001e-10 6.390943e-10 6.333946e-10 6.279996e-10 6.228784e-10 6.180046000000001e-10 6.133554e-10 6.089109e-10 6.04654e-10 6.003504e-10 5.959156e-10 5.913412e-10 5.866182e-10 5.817366000000001e-10 5.766853000000001e-10 5.714523e-10 5.660237999999999e-10 5.603848000000001e-10 5.545181000000001e-10 5.484048e-10 5.420231e-10 5.353483e-10 5.283524e-10 5.210026000000001e-10 5.132615e-10 5.050849000000001e-10 4.964209e-10 4.872077e-10 4.773709000000001e-10 4.668199e-10 4.554429e-10 4.4309950000000005e-10 4.296101e-10 4.1474000000000006e-10 3.981738e-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" [ 0.636998 0.996609 1.31705 1.55333 1.7251 1.85697 1.96437 2.05176 2.12187 2.17972 2.22924 2.27203 2.30885 2.34023 2.36687 2.38956 2.40885 2.4251 2.43859 2.44956 2.45809 2.46419 2.46785 2.46908 2.46772 2.46326 2.45509 2.44261 2.4252 2.40225 2.37303 2.33674 2.29231 2.23885 2.17536 2.10139 2.01748 1.92565 1.82891 1.72914 1.625 1.51278 1.38096 1.21006 0.989819 0.731992 0.500616 0.278526 -0.0702288 -0.713431 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0205833115047319e-19 1.5967436530341058e-19 2.1101467358097e-19 2.48870903089122e-19 2.7639149113134e-19 2.9751939440389796e-19 3.1472677145305796e-19 3.2872819305758395e-19 3.39961053438558e-19 3.49229645266248e-19 3.5716362395781595e-19 3.64019337774702e-19 3.6991855214108996e-19 3.74946182418582e-19 3.7921438097155797e-19 3.82849719754104e-19 3.8594031848109e-19 3.8854385551133997e-19 3.90705191790606e-19 3.9246277955810396e-19 3.9382943622690595e-19 3.9480676397364594e-19 3.9539316062168995e-19 3.9559022834767196e-19 3.9537233232544795e-19 3.9465776154668397e-19 3.93348783236706e-19 3.9134926679747402e-19 3.8855987727767995e-19 3.8488288190264997e-19 3.8020132177810197e-19 3.7438702277331593e-19 3.67268551988454e-19 3.5870331570308996e-19 3.4853109625382395e-19 3.3667979569212597e-19 3.2323593155623196e-19 3.0852314352621e-19 2.9302368676889397e-19 2.7703877049147596e-19 2.6035370302499996e-19 2.42374076838252e-19 2.21254184448864e-19 1.9387298577380398e-19 1.5858648736892459e-19 1.172780478674928e-19 8.020752578065439e-20 4.46247849161484e-20 -1.1251894239385918e-20 -1.143042478171254e-19 ] } }