{ "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" [ 1.10789 1.51124 1.80761 2.04347 2.23843 2.40321 2.54448 2.66671 2.7731 2.86602 2.94728 3.01832 3.0803 3.13415 3.18068 3.22054 3.2543 3.28245 3.30541 3.32355 3.33719 3.34664 3.35214 3.35392 3.35306 3.35024 3.34502 3.33686 3.32505 3.3087 3.28662 3.25721 3.21833 3.16696 3.09882 3.00756 2.88346 2.71088 2.46301 2.08997 1.48758 0.396294 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.775035456418112e-19 2.421273396417792e-19 2.896110481524288e-19 3.2739998593061764e-19 3.5863602132973443e-19 3.8503668768727682e-19 4.0767063680931843e-19 4.2725404164535684e-19 4.44299598714048e-19 4.591870238745216e-19 4.722063110951424e-19 4.835881738093057e-19 4.93518464505024e-19 5.02146185608032e-19 5.096011134246145e-19 5.159873894351232e-19 5.21396337706944e-19 5.25906464894496e-19 5.295850624158529e-19 5.324914108059841e-19 5.346767797167553e-19 5.361908366234112e-19 5.370720337648512e-19 5.373572212033536e-19 5.372194340139649e-19 5.367676202068992e-19 5.359312840108416e-19 5.346239078882689e-19 5.32731737299104e-19 5.30112178524096e-19 5.265745725453696e-19 5.218625711035968e-19 5.156333084019264e-19 5.074029271008768e-19 4.964856956067456e-19 4.818642317653248e-19 4.619812199011968e-19 4.3433085577943045e-19 3.946177038796608e-19 3.3485010721733765e-19 2.383365897569664e-19 6.349329817633152e-20 ] } }