{ "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 4.030589 4.01016 3.988599 3.965775 3.94153 3.915675 3.887981 3.858167 3.82588 3.790673 3.751964 3.708981 3.660659 3.605482 3.541179 3.46412 3.367961 3.24 ] "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 4.030589e-10 4.01016e-10 3.988599e-10 3.965775e-10 3.9415300000000006e-10 3.915675e-10 3.887981e-10 3.858167e-10 3.8258800000000005e-10 3.7906730000000003e-10 3.751964e-10 3.7089810000000005e-10 3.660659e-10 3.605482e-10 3.541179e-10 3.46412e-10 3.367961e-10 3.24e-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 3.35913 3.35628 3.35096 3.34259 3.33039 3.31335 3.29013 3.2589 3.21715 3.16132 3.08623 2.9841 2.8427 2.64191 2.34623 1.88744 1.11723 -0.353347 ] "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 5.381919596568419e-19 5.37735339316152e-19 5.36882981346864e-19 5.35541959504206e-19 5.33587304010726e-19 5.3085719502639e-19 5.271369408822419e-19 5.2213334325426e-19 5.1544425580731e-19 5.06499303659688e-19 4.94468559314982e-19 4.7810552935194e-19 4.554507517471799e-19 4.23280647113094e-19 3.759074883989819e-19 3.0240122660769596e-19 1.78999980080382e-19 -5.66124307093998e-20 ] } }