{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.2382 4.887221 4.669698 4.511655 4.387454 4.285125 4.198107 4.122409 4.055422 3.995346 3.940888 3.891086 3.845207 3.802676 3.76304 3.725928 3.691038 3.658119 3.626961 3.597384 3.569236 3.542384 3.516716 3.49213 3.475393 3.457777 3.439187 3.419506 3.398601 3.376307 3.352428 3.32672 3.29888 3.268523 3.235146 3.198083 3.156417 3.10884 3.053394 2.98695 2.904036 2.7937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.238200000000001e-10 4.887221000000001e-10 4.669698e-10 4.511655e-10 4.387454e-10 4.285125e-10 4.1981070000000004e-10 4.1224090000000004e-10 4.055422e-10 3.9953460000000003e-10 3.940888e-10 3.8910860000000003e-10 3.845207e-10 3.8026760000000003e-10 3.76304e-10 3.725928e-10 3.691038e-10 3.6581190000000004e-10 3.6269610000000005e-10 3.597384e-10 3.569236e-10 3.542384e-10 3.5167160000000003e-10 3.49213e-10 3.475393e-10 3.457777e-10 3.439187e-10 3.4195060000000003e-10 3.3986010000000003e-10 3.376307e-10 3.3524280000000004e-10 3.32672e-10 3.29888e-10 3.268523e-10 3.235146e-10 3.1980830000000003e-10 3.156417e-10 3.10884e-10 3.053394e-10 2.98695e-10 2.904036e-10 2.7937e-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" [ 0.997936 1.47438 1.80388 2.04874 2.2401 2.39599 2.52596 2.63561 2.73017 2.814 2.88933 2.95693 3.01704 3.06986 3.11564 3.15472 3.18745 3.21421 3.23553 3.25198 3.2641 3.27229 3.27697 3.27844 3.27772 3.27537 3.27106 3.26436 3.25465 3.24118 3.22284 3.19813 3.16486 3.11985 3.05848 2.9739 2.85582 2.68766 2.43961 2.05131 1.38911 0.118218 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.598869728254669e-19 2.3622171661751044e-19 2.890134362728704e-19 3.2824433300977923e-19 3.58903584825408e-19 3.838799161670592e-19 4.047034057075968e-19 4.2227127235466877e-19 4.374214544809537e-19 4.5085250109312e-19 4.6292169757760645e-19 4.737524115342144e-19 4.833830952018432e-19 4.918457921129088e-19 4.991805566829312e-19 5.054418629170177e-19 5.106857869968961e-19 5.149732116341568e-19 5.183890521897024e-19 5.210246327309184e-19 5.22966470795328e-19 5.242786534477632e-19 5.250284721062976e-19 5.252639920695552e-19 5.2514863535285765e-19 5.247721238469696e-19 5.240815857234048e-19 5.230081273874689e-19 5.21452413888672e-19 5.192942819804544e-19 5.163558900579072e-19 5.123969116279104e-19 5.070664700105089e-19 4.998550730402881e-19 4.900225151184384e-19 4.76471305259712e-19 4.575528037213057e-19 4.3061060166593287e-19 3.9086861058698884e-19 3.286560924013248e-19 2.225599565719488e-19 1.894061157577344e-20 ] } }