{ "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" [ 1.04912 1.46893 1.79114 2.03933 2.2399 2.4147 2.56655 2.68864 2.78671 2.86964 2.9429 3.00904 3.06887 3.1225 3.1703 3.2126 3.24953 3.28107 3.30712 3.32752 3.34249 3.35252 3.3582 3.36 3.35916 3.35647 3.35163 3.34428 3.33397 3.31998 3.30117 3.27576 3.24094 3.19244 3.12465 3.03101 2.90399 2.73188 2.49217 2.13565 1.5467 0.487115 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.680875536413696e-19 2.353485303591744e-19 2.869722632579712e-19 3.267366848096064e-19 3.5887154129299204e-19 3.86877588624576e-19 4.11206640611424e-19 4.307676149747712e-19 4.464801610949568e-19 4.597670118112512e-19 4.71504557735232e-19 4.821013539052033e-19 4.916871766274496e-19 5.002796498448001e-19 5.079380540922241e-19 5.147152611982081e-19 5.206320994588224e-19 5.256853645208257e-19 5.298590346180097e-19 5.331274749244416e-19 5.355259333257792e-19 5.371329164764417e-19 5.38042952797056e-19 5.383313445888e-19 5.381967617526529e-19 5.377657762416576e-19 5.369903227571904e-19 5.358127229409024e-19 5.341608788448576e-19 5.319194337523584e-19 5.289057395286336e-19 5.248346087351809e-19 5.192558297415552e-19 5.114852731306752e-19 5.00624117818272e-19 4.856213359411008e-19 4.652704885036992e-19 4.376954266831104e-19 3.9928965090591366e-19 3.4216885002115203e-19 2.47808657939136e-19 7.804442646409921e-20 ] } }