{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.12 5.709937 5.455797 5.27115 5.126041 5.006486 4.90482 4.816379 4.738116 4.667927 4.604301 4.546116 4.492513 4.442823 4.396514 4.353155 4.312392 4.273932 4.237528 4.202972 4.170085 4.138714 4.108724 4.08 4.060445 4.039864 4.018144 3.995151 3.970727 3.94468 3.916781 3.886746 3.85422 3.818752 3.779757 3.736455 3.687775 3.632189 3.56741 3.48978 3.392909 3.264 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.120000000000001e-10 5.709937000000001e-10 5.455797e-10 5.27115e-10 5.126041e-10 5.006486e-10 4.904820000000001e-10 4.816379000000001e-10 4.738116e-10 4.667927e-10 4.6043010000000006e-10 4.546116e-10 4.492513e-10 4.442823e-10 4.396514e-10 4.353155e-10 4.312392e-10 4.2739320000000005e-10 4.237528e-10 4.202972e-10 4.1700850000000003e-10 4.138714e-10 4.108724e-10 4.0800000000000004e-10 4.0604449999999996e-10 4.039864e-10 4.0181440000000004e-10 3.995151e-10 3.9707270000000004e-10 3.94468e-10 3.916781e-10 3.8867460000000003e-10 3.85422e-10 3.818752e-10 3.779757e-10 3.736455e-10 3.6877749999999997e-10 3.632189e-10 3.56741e-10 3.48978e-10 3.392909e-10 3.264e-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" [ 0.712706 1.09411 1.41504 1.69596 1.94643 2.17199 2.37622 2.56165 2.73016 2.88319 3.0219 3.14722 3.25994 3.36073 3.45015 3.52871 3.59684 3.65493 3.70333 3.74235 3.77228 3.79338 3.80588 3.81 3.80798 3.80127 3.78872 3.76883 3.73966 3.69866 3.6424 3.5662 3.46357 3.32524 3.13765 2.88025 2.52058 2.00471 1.23697 0.0311208 -2.06576 -6.59531 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.141880900111604e-19 1.7529574770257398e-19 2.26714402417536e-19 2.7172274841986397e-19 3.11852466571662e-19 3.47991162728166e-19 3.8071241612434797e-19 4.1042157744861e-19 4.37419855908144e-19 4.61937964938246e-19 4.841617570284599e-19 5.042402346057479e-19 5.222999696241959e-19 5.38448307918282e-19 5.527749713795099e-19 5.65361671016214e-19 5.76277300423656e-19 5.855843444905619e-19 5.933388793991219e-19 5.9959057262499e-19 6.043858872905519e-19 6.07766479988292e-19 6.09769200780792e-19 6.10429297554e-19 6.10105657873932e-19 6.09030597352518e-19 6.07019865676848e-19 6.03833136351822e-19 5.991595871104439e-19 5.9259066291104395e-19 5.8357681716816e-19 5.713682312170799e-19 5.549250924223379e-19 5.32762183044216e-19 5.0270695156700995e-19 4.6146692500785e-19 4.0384143801277193e-19 3.2118995199461403e-19 1.9818444309589798e-19 4.9861018591387195e-21 -3.30971240345184e-19 -1.056685157598654e-18 ] } }