{ "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" [ 1.1041 1.50746 1.80382 2.03968 2.23464 2.39942 2.54069 2.66292 2.76931 2.86223 2.94349 3.01453 3.07651 3.13037 3.17689 3.21675 3.25051 3.27866 3.30162 3.31976 3.3334 3.34285 3.34835 3.35013 3.34927 3.34645 3.34123 3.33307 3.32126 3.30491 3.28283 3.25342 3.21454 3.16317 3.09503 3.00377 2.87967 2.70709 2.45922 2.08618 1.48379 0.392504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7689632070252802e-19 2.415217168791168e-19 2.8900382321314563e-19 3.2679276099133443e-19 3.5802879639045126e-19 3.8442946274799366e-19 4.0706341187003526e-19 4.2664681670607367e-19 4.436923737747648e-19 4.585797989352384e-19 4.7159908615585925e-19 4.829809488700225e-19 4.929112395657408e-19 5.015405628453696e-19 5.089938884853313e-19 5.1538016449584005e-19 5.2078911276766075e-19 5.252992399552128e-19 5.289778374765697e-19 5.318841858667008e-19 5.34069554777472e-19 5.35583611684128e-19 5.36464808825568e-19 5.367499962640705e-19 5.366122090746816e-19 5.36160395267616e-19 5.353240590715585e-19 5.340166829489857e-19 5.321245123598209e-19 5.295049535848129e-19 5.259673476060865e-19 5.212553461643137e-19 5.150260834626433e-19 5.067957021615937e-19 4.958784706674625e-19 4.812570068260416e-19 4.613739949619136e-19 4.337236308401472e-19 3.9401047894037765e-19 3.3424288227805443e-19 2.377293648176832e-19 6.288607323704833e-20 ] } }