{ "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" [ 8.20731 7.65739 7.316571 7.068949 6.874347 6.714017 6.577677 6.459072 6.354115 6.259987 6.174661 6.096631 6.024746 5.958109 5.896006 5.837858 5.783192 5.731615 5.682795 5.636453 5.59235 5.550279 5.510061 5.47154 5.445316 5.417716 5.388587 5.357752 5.324997 5.290067 5.252653 5.212373 5.168754 5.121189 5.068894 5.010823 4.94554 4.870996 4.784123 4.680016 4.550106 4.37723 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.20731e-10 7.657390000000001e-10 7.316571e-10 7.068949e-10 6.874347e-10 6.714017e-10 6.577677000000001e-10 6.459072e-10 6.354115e-10 6.259987e-10 6.174661e-10 6.096631000000001e-10 6.024746000000001e-10 5.958109e-10 5.896006e-10 5.837858e-10 5.783192e-10 5.731615e-10 5.682795e-10 5.636453000000001e-10 5.59235e-10 5.550278999999999e-10 5.510061e-10 5.471540000000001e-10 5.445316e-10 5.417716000000001e-10 5.388587e-10 5.357752e-10 5.324997e-10 5.290067e-10 5.252652999999999e-10 5.212373e-10 5.168754e-10 5.121189e-10 5.068894e-10 5.010823e-10 4.94554e-10 4.870996e-10 4.784123e-10 4.680016e-10 4.5501060000000005e-10 4.37723e-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" [ 0.659493 0.759387 0.568994 0.774143 1.13369 1.47506 1.70714 1.83216 1.91223 1.98822 2.06842 2.14797 2.2212 2.28461 2.3372 2.37978 2.41391 2.44134 2.46349 2.481 2.49426 2.50351 2.50894 2.51072 2.50986 2.50704 2.50184 2.49372 2.48205 2.46606 2.44487 2.41724 2.38121 2.33356 2.26899 2.18037 2.06005 1.90184 1.70336 1.46575 1.19841 0.813073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0566242748865619e-19 1.216672107563358e-19 9.11628891686196e-20 1.240313825974662e-19 1.81637162819946e-19 2.36330666574804e-19 2.73513981896676e-19 2.9354439417494397e-19 3.06373022483382e-19 3.18547962725148e-19 3.31397419329828e-19 3.44142734453298e-19 3.5587547394408e-19 3.6603487598027397e-19 3.7446072289848e-19 3.8128279100605195e-19 3.8675101985789395e-19 3.9114579036495594e-19 3.94694611609266e-19 3.9750002289539996e-19 3.99624509112084e-19 4.0110652249853395e-19 4.01976504410796e-19 4.02261691851648e-19 4.02123904661124e-19 4.0167209085033595e-19 4.00838959000656e-19 3.99537991573848e-19 3.9766825144197e-19 3.95106371004204e-19 3.9171135871675795e-19 3.87284544677016e-19 3.8151190226471396e-19 3.7387753060370397e-19 3.63532276077966e-19 3.49333786747458e-19 3.3005639748716997e-19 3.0470836096065596e-19 2.72908359129024e-19 2.3483904012855e-19 1.92006449995194e-19 1.302686562336282e-19 ] } }