{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.0319 7.493733 7.160199 6.917868 6.727426 6.570523 6.437096 6.321026 6.218312 6.126196 6.042694 5.966331 5.895983 5.83077 5.769994 5.713089 5.659591 5.609116 5.56134 5.515989 5.472828 5.431656 5.392298 5.3546 5.328936 5.301926 5.273421 5.243244 5.211189 5.177006 5.140391 5.100973 5.058285 5.011737 4.96056 4.90373 4.839843 4.766892 4.681876 4.579995 4.452861 4.28368 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.031900000000001e-10 7.493733e-10 7.160199e-10 6.917868000000001e-10 6.727426000000001e-10 6.570523e-10 6.437096e-10 6.321026e-10 6.218312e-10 6.126196000000001e-10 6.042694e-10 5.966331000000001e-10 5.895983000000001e-10 5.830770000000001e-10 5.769994e-10 5.713089e-10 5.659591e-10 5.609116000000001e-10 5.561340000000001e-10 5.515989e-10 5.472828e-10 5.431656e-10 5.392298e-10 5.354599999999999e-10 5.328936e-10 5.301926e-10 5.273421e-10 5.243244e-10 5.211189e-10 5.177006000000001e-10 5.140391e-10 5.100973e-10 5.058285e-10 5.011737000000001e-10 4.96056e-10 4.903730000000001e-10 4.839843e-10 4.766892000000001e-10 4.681876e-10 4.5799950000000007e-10 4.4528610000000007e-10 4.283680000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.649114 0.948959 1.17471 1.36551 1.52604 1.66097 1.77505 1.87174 1.95447 2.02651 2.09007 2.1463 2.19585 2.23921 2.27686 2.30925 2.33679 2.35983 2.37872 2.39372 2.40508 2.41301 2.41767 2.4192 2.41846 2.416 2.41143 2.40423 2.39374 2.37914 2.35929 2.33273 2.29741 2.25044 2.18754 2.10212 1.9838 1.81584 1.5706 1.19892 0.594841 -0.524793 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0399952750339712e-19 1.5203999238977472e-19 1.882092898219968e-19 2.187788197468608e-19 2.4449856104056323e-19 2.661167301850176e-19 2.84394361075104e-19 2.998858068216192e-19 3.131406140054976e-19 3.2468269438174084e-19 3.348661289835456e-19 3.4387516812230405e-19 3.5181395327836804e-19 3.587609911061568e-19 3.6479318608346883e-19 3.6998263615824e-19 3.7439503057192323e-19 3.7808644550624645e-19 3.811129571429376e-19 3.8351622207413765e-19 3.853362947153664e-19 3.866068207756608e-19 3.8735343508095366e-19 3.8759856810393603e-19 3.8748000703399685e-19 3.8708587158528e-19 3.8635367686957444e-19 3.852001097025984e-19 3.8351942642737925e-19 3.811802485610112e-19 3.7799992796872323e-19 3.7374454686387845e-19 3.6808565903921284e-19 3.6056023545131526e-19 3.5048254450648318e-19 3.3679675181160964e-19 3.17839798034304e-19 2.909296395113472e-19 2.51637860062848e-19 1.9208815942095362e-19 9.530403432932927e-20 -8.408110753594944e-20 ] } }