{ "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" [ 1.05274 1.45609 1.75246 1.98832 2.18328 2.34806 2.48933 2.61156 2.71795 2.81086 2.89212 2.96317 3.02514 3.079 3.12553 3.16539 3.19915 3.2273 3.25025 3.26839 3.28204 3.29148 3.29698 3.29877 3.29791 3.29508 3.28986 3.2817 3.2699 3.25355 3.23146 3.20206 3.16317 3.11181 3.04366 2.9524 2.82831 2.65573 2.40785 2.03481 1.43243 0.34114 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6866754157809922e-19 2.3329133557806723e-19 2.807750440887168e-19 3.1856398186690565e-19 3.498000172660224e-19 3.762006836235648e-19 3.988346327456064e-19 4.184180375816448e-19 4.354635946503361e-19 4.503494176341888e-19 4.633687048548096e-19 4.747521697455936e-19 4.846808582646913e-19 4.9331018154432005e-19 5.007651093609024e-19 5.071513853714112e-19 5.12560333643232e-19 5.17070460830784e-19 5.2074745617552e-19 5.236538045656512e-19 5.258407756530432e-19 5.273532303830785e-19 5.282344275245184e-19 5.285212171396417e-19 5.283834299502528e-19 5.279300139665664e-19 5.270936777705088e-19 5.25786301647936e-19 5.23895733235392e-19 5.212761744603841e-19 5.177369663050369e-19 5.130265670398848e-19 5.067957021615937e-19 4.985669230371649e-19 4.876480893664128e-19 4.73026625524992e-19 4.5314521583748485e-19 4.2549485171571846e-19 3.85780097639328e-19 3.2601250097700476e-19 2.2950058569325443e-19 5.465665324197121e-20 ] } }