{ "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" [ 0.649088 0.948932 1.17468 1.36548 1.52601 1.66094 1.77502 1.87171 1.95444 2.02649 2.09005 2.14628 2.19582 2.23918 2.27684 2.30922 2.33676 2.35981 2.37869 2.39369 2.40506 2.41299 2.41765 2.41918 2.41843 2.41598 2.4114 2.4042 2.39372 2.37911 2.35927 2.3327 2.29739 2.25042 2.18751 2.10209 1.98378 1.81581 1.57058 1.1989 0.594814 -0.52482 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0399536184418305e-19 1.5203566651289856e-19 1.882044832921344e-19 2.187740132169984e-19 2.4449375451070083e-19 2.6611192365515525e-19 2.843895545452416e-19 2.9988100029175684e-19 3.131358074756352e-19 3.246794900284992e-19 3.3486292463030405e-19 3.438719637690624e-19 3.518091467485056e-19 3.5875618457629446e-19 3.6478998173022723e-19 3.699778296283776e-19 3.7439022404206083e-19 3.780832411530048e-19 3.8110815061307524e-19 3.835114155442752e-19 3.8533309036212486e-19 3.8660361642241926e-19 3.87350230727712e-19 3.875953637506944e-19 3.874752005041344e-19 3.870826672320384e-19 3.8634887033971204e-19 3.85195303172736e-19 3.8351622207413765e-19 3.811754420311488e-19 3.7799672361548163e-19 3.73739740334016e-19 3.6808245468597124e-19 3.6055703109807366e-19 3.504777379766208e-19 3.3679194528174724e-19 3.1783659368106245e-19 2.909248329814848e-19 2.5163465570960645e-19 1.9208495506771202e-19 9.529970845245312e-20 -8.408543341282559e-20 ] } }