{ "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 3.126781 3.050578 2.967901 2.877548 2.777947 2.666986 2.541736 2.397965 2.22923 2.025 ] "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 3.126781e-10 3.050578e-10 2.967901e-10 2.877548e-10 2.7779470000000003e-10 2.6669860000000004e-10 2.541736e-10 2.397965e-10 2.22923e-10 2.025e-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" [ 1.07993 1.48273 1.78393 2.02439 2.22347 2.39185 2.53623 2.66111 2.76976 2.86458 2.94743 3.0198 3.08287 3.13761 3.18485 3.22528 3.25947 3.28794 3.31113 3.32943 3.34318 3.35268 3.35821 3.36 3.35807 3.35181 3.34038 3.3228 3.29784 3.26405 3.21961 3.16233 3.08947 2.9976 2.88243 2.73851 2.55888 2.33454 2.05371 1.70083 1.25503 0.687861 -0.0400713 -0.984392 -2.22549 -3.88314 -6.1424 -9.29841 -13.838 -20.5926 -31.0291 -47.7994 -75.6733 -122.335 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.73023861235562e-19 2.37559536053082e-19 2.85817096269162e-19 3.2434303561032597e-19 3.5623916803999796e-19 3.8321661820328993e-19 4.06348844444982e-19 4.2635682625037395e-19 4.43764475378784e-19 4.58956314222372e-19 4.72230347635062e-19 4.838252999353199e-19 4.93930227965958e-19 5.02700542860474e-19 5.1026922527949e-19 5.16746825410752e-19 5.22224667322398e-19 5.267860641993959e-19 5.30501511813642e-19 5.33433495053862e-19 5.356364879256119e-19 5.37158555727912e-19 5.38044559406514e-19 5.38331349024e-19 5.38022128933638e-19 5.37019166360754e-19 5.35187878468092e-19 5.3237125194552e-19 5.28372219067056e-19 5.2295846422077e-19 5.15838391259274e-19 5.066611234997219e-19 4.949876645443979e-19 4.8026846780784e-19 4.618161995140619e-19 4.38757673397534e-19 4.099777745209919e-19 3.7403454391383596e-19 3.29040617501214e-19 2.72503008440622e-19 2.01077974096902e-19 1.1020748216398739e-19 -6.420130055400419e-21 -1.577169861096528e-19 -3.56562807720066e-19 -6.221476174550759e-19 -9.8412097566816e-19 -1.489769523535194e-18 -2.2170920261291998e-18 -3.29929825533084e-18 -4.97140989940494e-18 -7.658308179921959e-18 -1.2124199307767219e-17 -1.9600227852039e-17 ] } }