{ "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" [ 1.0399952836022759e-19 1.520399936424006e-19 1.8820929137261398e-19 2.18778821549334e-19 2.44498563054936e-19 2.66116732377498e-19 2.8439436341816996e-19 2.99885809292316e-19 3.1314061658539796e-19 3.24682697056734e-19 3.3486613174243794e-19 3.4387517095542e-19 3.5181395617689e-19 3.5876099406191395e-19 3.64793189088924e-19 3.6998263920644997e-19 3.74395033656486e-19 3.78086448621222e-19 3.8111296028284796e-19 3.83516225233848e-19 3.85336297890072e-19 3.8660682396083395e-19 3.87353438272278e-19 3.8759857129728e-19 3.8748001022636397e-19 3.8708587477439994e-19 3.86353680052662e-19 3.85200112876182e-19 3.83519429587116e-19 3.8118025170147596e-19 3.77999931082986e-19 3.73744549943082e-19 3.68085662071794e-19 3.60560238421896e-19 3.5048254739403596e-19 3.36796754586408e-19 3.1783980065292e-19 2.9092964190825596e-19 2.5163786213604e-19 1.9208816100352798e-19 9.530403511451939e-20 -8.408110822867618e-20 ] } }