{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.364 9.669575 9.239198 8.926506 8.680769 8.478308 8.306141 8.15637 8.023833 7.904971 7.797224 7.698689 7.607914 7.523767 7.445344 7.371917 7.302886 7.237755 7.176107 7.117588 7.061896 7.00877 6.957984 6.90934 6.860163 6.809487 6.757215 6.703246 6.647464 6.589744 6.529946 6.467915 6.403478 6.336441 6.266584 6.193661 6.117389 6.037446 5.953462 5.865004 5.771571 5.672567 5.567289 5.454884 5.334319 5.204315 5.063268 4.909126 4.739205 4.549904 4.336227 4.090952 3.803088 3.45467 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0364e-09 9.669575e-10 9.239198e-10 8.926506e-10 8.680769e-10 8.478308e-10 8.306141000000001e-10 8.156370000000001e-10 8.023833e-10 7.904971e-10 7.797224e-10 7.698689e-10 7.607914e-10 7.523767e-10 7.445344000000001e-10 7.371917e-10 7.302886e-10 7.237755000000001e-10 7.176107e-10 7.117588e-10 7.061896e-10 7.00877e-10 6.957984e-10 6.90934e-10 6.860163e-10 6.809487e-10 6.757215000000001e-10 6.703246e-10 6.647464000000001e-10 6.589744e-10 6.529946e-10 6.467915e-10 6.403478e-10 6.336441e-10 6.266584e-10 6.193661e-10 6.117389000000001e-10 6.037446e-10 5.953462e-10 5.865004e-10 5.771571e-10 5.672567e-10 5.567289e-10 5.454884000000001e-10 5.334319e-10 5.204315e-10 5.063268e-10 4.909126e-10 4.739205e-10 4.5499039999999997e-10 4.3362270000000003e-10 4.090952e-10 3.803088e-10 3.45467e-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" [ 0.0839197 0.172243 0.246252 0.309815 0.365097 0.413546 0.456215 0.493904 0.527245 0.556745 0.582819 0.605814 0.626022 0.643689 0.659031 0.672232 0.683455 0.692842 0.700519 0.706598 0.711185 0.714439 0.716311 0.716915 0.716269 0.714184 0.710413 0.70466 0.696579 0.685753 0.671685 0.653777 0.631306 0.603391 0.568953 0.526663 0.474867 0.411492 0.340043 0.245265 0.128444 -0.0158816 -0.195225 -0.419744 -0.70339 -1.06576 -1.53503 -2.15289 -2.98316 -4.12746 -5.75587 -8.17143 -11.9591 -18.3789 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3445418247228979e-20 2.75963709970062e-20 3.9453920047576795e-20 4.9637835386271e-20 5.849498825434979e-20 6.62573738284164e-20 7.309370130803099e-20 7.913214482391359e-20 8.447396193933298e-20 8.920038300963301e-20 9.337789836512459e-20 9.706210353500758e-20 1.0029978207699479e-19 1.0313034753628258e-19 1.055884069281654e-19 1.077034403027088e-19 1.0950156313904699e-19 1.110055263453828e-19 1.1223551734730459e-19 1.132094805231132e-19 1.13944398945129e-19 1.144657472218326e-19 1.147656746877174e-19 1.1486244615641098e-19 1.1475894554585459e-19 1.144248917176656e-19 1.1382071090898419e-19 1.1289897869144398e-19 1.1160425975350858e-19 1.098697433295402e-19 1.0761580124082899e-19 1.047466233246618e-19 1.011463722104004e-19 9.667389613658939e-20 9.11563202444202e-20 8.43807152592342e-20 7.608208116576779e-20 6.59282867477928e-20 5.44808949155262e-20 3.9295785213801e-20 2.05789975577496e-20 -2.54451284305344e-21 -3.1278493337265e-20 -6.725040290616959e-20 -1.12695502258926e-19 -1.70753576945184e-19 -2.45938919848902e-19 -3.4493100535722603e-19 -4.779549247483439e-19 -6.61291996976964e-19 -9.221920422341579e-19 -1.309207421236662e-18 -1.91605905836694e-18 -2.9446244138622602e-18 ] } }