{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.21189 7.661662 7.320653 7.072892 6.878182 6.717762 6.581345 6.462674 6.357659 6.263478 6.178105 6.10003 6.028105 5.961431 5.899293 5.841113 5.786416 5.73481 5.685963 5.639596 5.595468 5.553373 5.513133 5.47459 5.435625 5.395472 5.354055 5.311292 5.267094 5.22136 5.173979 5.124829 5.073773 5.020656 4.965306 4.907525 4.847092 4.78375 4.717205 4.647116 4.573084 4.49464 4.411223 4.32216 4.22663 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.21189e-10 7.661662e-10 7.320653e-10 7.072892000000001e-10 6.878182000000001e-10 6.717762e-10 6.581345e-10 6.462674e-10 6.357659e-10 6.263478e-10 6.178105e-10 6.100030000000001e-10 6.028105000000001e-10 5.961431e-10 5.899293e-10 5.841113000000001e-10 5.786416e-10 5.734810000000001e-10 5.685963e-10 5.639596000000001e-10 5.595468e-10 5.553373e-10 5.513133e-10 5.47459e-10 5.435625e-10 5.395472e-10 5.354055e-10 5.311292000000001e-10 5.267094e-10 5.22136e-10 5.173979e-10 5.124829000000001e-10 5.073773e-10 5.020655999999999e-10 4.965306e-10 4.907525e-10 4.847092e-10 4.78375e-10 4.717205e-10 4.647116e-10 4.573084e-10 4.4946400000000005e-10 4.411223e-10 4.3221600000000005e-10 4.2266300000000004e-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" [ 1.0215 1.98901 2.32471 2.57381 2.94578 3.29246 3.57301 3.77494 3.89411 3.96033 4.01686 4.08069 4.15671 4.24455 4.33882 4.43348 4.52428 4.60846 4.68301 4.74542 4.79573 4.83341 4.85692 4.86489 4.85645 4.82999 4.78454 4.71977 4.6348 4.52624 4.38751 4.20983 3.98625 3.72582 3.45128 3.1534 2.81587 2.43327 2.01331 1.55195 0.992257 0.296317 -0.548542 -1.6035 -2.99245 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.636623431631e-19 3.1867453467923397e-19 3.7245960428261396e-19 4.1236982423555394e-19 4.71965988490452e-19 5.27510248037964e-19 5.72459313504834e-19 6.04812066275196e-19 6.239052052225739e-19 6.345148188929219e-19 6.43571923404924e-19 6.537986168597459e-19 6.65978363631414e-19 6.8005188318447e-19 6.95155602313188e-19 7.10321806330632e-19 7.24869570167352e-19 7.38356693072364e-19 7.50300919878834e-19 7.60300104251628e-19 7.683606548972819e-19 7.743976564541939e-19 7.781643737207279e-19 7.794413084980259e-19 7.780890714189299e-19 7.738497120453658e-19 7.66567819243836e-19 7.561905211854179e-19 7.4257682632632e-19 7.251835967876159e-19 7.029566003441339e-19 6.744891259112219e-19 6.3866766072825e-19 5.969421746489879e-19 5.52956017339152e-19 5.0523037976556e-19 4.511521118381579e-19 3.898528338213179e-19 3.22567823899854e-19 2.4864980271362996e-19 1.589770980322938e-19 4.7475217365697794e-20 -8.788611751676279e-20 -2.569090232619e-19 -4.794433468413299e-19 ] } }