{ "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" [ 1.09405 1.49909 1.79875 2.03735 2.23449 2.40095 2.5434 2.66655 2.77357 2.8669 2.94838 3.0195 3.08143 3.13516 3.1815 3.22112 3.25462 3.28251 3.30521 3.32311 3.33656 3.34585 3.35125 3.353 3.35215 3.34937 3.34418 3.33601 3.32411 3.3075 3.28487 3.25446 3.21382 3.15951 3.08651 2.98729 2.85004 2.6553 2.36885 1.92497 1.18096 -0.236604 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7528613464276998e-19 2.40180697026306e-19 2.8819152204075e-19 3.2641945652798996e-19 3.58004766690666e-19 3.8467459894022996e-19 4.0749760509156e-19 4.2722841033926997e-19 4.443749046763379e-19 4.5932801920146e-19 4.723825544152919e-19 4.837772346363e-19 4.936995145306619e-19 5.023080095851439e-19 5.097324961071e-19 5.16080319931008e-19 5.21447611654908e-19 5.259160822871339e-19 5.29553023246314e-19 5.324209194211739e-19 5.345758469939039e-19 5.3606426908689e-19 5.369294444692499e-19 5.372098253802e-19 5.3707364036631e-19 5.36628235262058e-19 5.35796705589012e-19 5.344877272790339e-19 5.32581137084574e-19 5.299199216955e-19 5.26294195972758e-19 5.214219768287639e-19 5.149107309881879e-19 5.06209309688934e-19 4.94513420260734e-19 4.786166236981859e-19 4.566267493965359e-19 4.2542596162601995e-19 3.7953161194509e-19 3.08414195515098e-19 1.89210651768864e-19 -3.7908140031093597e-20 ] } }