{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.8327 4.508891 4.308208 4.1624 4.047813 3.953406 3.873125 3.803287 3.741486 3.68606 3.635818 3.589871 3.547544 3.508306 3.471738 3.437499 3.40531 3.374939 3.346193 3.318906 3.292936 3.268164 3.244482 3.2218 3.198869 3.175239 3.150865 3.125699 3.099688 3.072774 3.04489 3.015965 2.985919 2.954659 2.922085 2.888081 2.852516 2.815239 2.776077 2.73483 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.8327e-10 4.5088910000000006e-10 4.3082079999999996e-10 4.1624e-10 4.0478129999999997e-10 3.9534060000000004e-10 3.873125e-10 3.803287e-10 3.741486e-10 3.68606e-10 3.635818e-10 3.589871e-10 3.547544e-10 3.508306e-10 3.471738e-10 3.437499e-10 3.40531e-10 3.374939e-10 3.346193e-10 3.318906e-10 3.292936e-10 3.268164e-10 3.244482e-10 3.2218e-10 3.198869e-10 3.175239e-10 3.150865e-10 3.125699e-10 3.099688e-10 3.072774e-10 3.0448900000000004e-10 3.015965e-10 2.985919e-10 2.954659e-10 2.922085e-10 2.888081e-10 2.852516e-10 2.8152390000000003e-10 2.776077e-10 2.73483e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.732962 1.16951 1.50256 1.8297 2.10464 2.32146 2.50567 2.69029 2.87767 3.05972 3.22807 3.37076 3.48371 3.57232 3.64279 3.69911 3.74292 3.77665 3.8028 3.8233 3.83947 3.85218 3.86051 3.86345 3.86025 3.84978 3.82938 3.79486 3.74005 3.65626 3.53234 3.35571 3.1114 2.78883 2.37975 1.88266 1.30306 0.634963 -0.149857 -1.09833 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.174334590009908e-19 1.87376159522934e-19 2.4073665231830397e-19 2.9315025872298e-19 3.3720050309817597e-19 3.71938896876564e-19 4.0145259265147794e-19 4.31031977668386e-19 4.61053563436278e-19 4.902211890582479e-19 5.17193832691638e-19 5.40055291082184e-19 5.58151876163214e-19 5.72348763317088e-19 5.83639302056886e-19 5.92662760859574e-19 5.996818966931279e-19 6.050860384796099e-19 6.0927573037752e-19 6.1256019247721995e-19 6.15150912094398e-19 6.17187278596212e-19 6.18521891732334e-19 6.1899293166273e-19 6.1848023513985e-19 6.168027562040519e-19 6.13534315870692e-19 6.08003602130124e-19 5.9922207199917e-19 5.85797433982884e-19 5.6594326113435595e-19 5.37644015248014e-19 4.9850123790276e-19 4.468198262198219e-19 3.8127798447614997e-19 3.0163538617664396e-19 2.08773228470004e-19 1.017322882054542e-19 -2.4009738384133797e-20 -1.7597186624212199e-19 ] } }