{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.11058 5.701149 5.447399 5.263037 5.118151 4.99878 4.897271 4.808966 4.730823 4.660742 4.597214 4.539118 4.485598 4.435985 4.389747 4.346454 4.305754 4.267353 4.231005 4.196503 4.163667 4.132344 4.1024 4.07372 4.054195 4.033646 4.01196 3.989002 3.964615 3.938609 3.910753 3.880764 3.848288 3.812875 3.77394 3.730705 3.6821 3.626601 3.561921 3.484412 3.38769 3.25898 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.110579999999999e-10 5.701149e-10 5.447399e-10 5.263037e-10 5.118151e-10 4.99878e-10 4.897271e-10 4.808966e-10 4.730823e-10 4.660742e-10 4.597214e-10 4.5391180000000004e-10 4.4855980000000004e-10 4.435985e-10 4.389747e-10 4.346454e-10 4.3057540000000006e-10 4.267353e-10 4.2310049999999997e-10 4.196503e-10 4.163667e-10 4.132344e-10 4.1024e-10 4.07372e-10 4.0541950000000003e-10 4.033646e-10 4.0119600000000004e-10 3.9890020000000005e-10 3.964615e-10 3.938609e-10 3.910753e-10 3.880764e-10 3.8482880000000003e-10 3.812875e-10 3.77394e-10 3.730705e-10 3.6821e-10 3.626601e-10 3.561921e-10 3.484412e-10 3.38769e-10 3.25898e-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" [ 0.493083 1.23302 1.75791 2.0644 2.25754 2.40541 2.5339 2.6447 2.73926 2.81942 2.88752 2.94727 2.99987 3.04536 3.08393 3.11589 3.14194 3.16275 3.17889 3.19093 3.19968 3.20562 3.20904 3.21014 3.2096 3.20783 3.2045 3.19919 3.19139 3.18049 3.16325 3.11639 2.99415 2.71768 2.15163 1.04454 -1.11406 -5.4478 -10.3873 -10.6563 -11.1413 -12.0796 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.900060547139264e-20 1.975515816978816e-19 2.8164823034705285e-19 3.30753341597952e-19 3.616977808520832e-19 3.8538916654385277e-19 4.05975533944512e-19 4.23727650902976e-19 4.388778330292608e-19 4.517208808215937e-19 4.626317036092416e-19 4.722047089185216e-19 4.806321579439296e-19 4.879204593919489e-19 4.941000546183745e-19 4.992206110984512e-19 5.033942811956352e-19 5.067284107435201e-19 5.093143238094913e-19 5.112433444609344e-19 5.126452490041344e-19 5.135969419168897e-19 5.141448863212032e-19 5.143211257494913e-19 5.14234608211968e-19 5.139510229500865e-19 5.1341749813536e-19 5.125667423497153e-19 5.113170445854912e-19 5.095706720688192e-19 5.068085195745601e-19 4.993007199294912e-19 4.79715712916832e-19 4.3542033588157445e-19 3.4472912826119043e-19 1.673537567490432e-19 -1.784920886168448e-19 -8.72833779479424e-19 -1.664228921323584e-18 -1.7073274724231041e-18 -1.785033038531904e-18 -1.935365270861568e-18 ] } }