{ "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" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 6.02364 5.620034 5.369895 5.188156 5.045331 4.927659 4.827593 4.740545 4.663514 4.59443 4.531806 4.474537 4.421778 4.372871 4.327291 4.284614 4.244493 4.206638 4.170808 4.136796 4.104427 4.073549 4.044032 4.01576 3.987178 3.957724 3.927344 3.895976 3.863556 3.830008 3.795253 3.759201 3.721749 3.682787 3.642186 3.599802 3.555472 3.509009 3.460196 3.408784 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02364e-10 5.620034000000001e-10 5.369895e-10 5.188156e-10 5.045331e-10 4.927659000000001e-10 4.827593000000001e-10 4.740545e-10 4.663514000000001e-10 4.5944300000000004e-10 4.5318059999999996e-10 4.474537e-10 4.421778e-10 4.372871e-10 4.327291e-10 4.2846140000000007e-10 4.2444930000000005e-10 4.206638e-10 4.170808e-10 4.1367960000000004e-10 4.1044270000000007e-10 4.073549e-10 4.0440319999999995e-10 4.0157600000000004e-10 3.987178e-10 3.957724e-10 3.9273440000000006e-10 3.8959760000000004e-10 3.863556e-10 3.830008e-10 3.7952530000000003e-10 3.759201e-10 3.7217490000000003e-10 3.682787e-10 3.6421860000000003e-10 3.599802e-10 3.555472e-10 3.509009e-10 3.460196e-10 3.4087839999999997e-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" [ 1.16116 1.735 2.2428 2.70751 3.13926 3.54317 3.9239 4.28218 4.61875 4.93509 5.23089 5.50617 5.76116 5.99603 6.21009 6.40308 6.57475 6.72519 6.85351 6.9593 7.04211 7.10182 7.13862 7.151 7.13703 7.09031 7.00221 6.86179 6.65509 6.36417 5.966 5.43129 4.71932 3.77742 2.53507 0.895938 -1.27171 -4.15154 -8.00603 -13.2119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.86038342033544e-19 2.77977645999e-19 3.5933617547351996e-19 4.337909258321339e-19 5.02964902005084e-19 5.676784184289779e-19 6.2867808941526e-19 6.86080873858212e-19 7.4000533282875e-19 7.906885884687059e-19 8.380809733024259e-19 8.82185691683178e-19 9.23039593673544e-19 9.60669916276302e-19 9.949661093037059e-19 1.025886516163272e-18 1.05339108243915e-18 1.077494227721046e-18 1.0980533582885339e-18 1.11500278489962e-18 1.1282704096057739e-18 1.1378370062873879e-18 1.143733016300508e-18 1.1457165109734e-18 1.143478270215702e-18 1.1359929009816539e-18 1.121877724836114e-18 1.0993799605414859e-18 1.066262969516706e-18 1.0196524468803778e-18 9.558585798444e-19 8.701885930477858e-19 7.561184232368879e-19 6.05209406080428e-19 4.06162991955438e-19 1.435450929112692e-19 -2.0375040472241397e-19 -6.651500383116359e-19 -1.282707419710302e-18 -2.1167797470744597e-18 ] } }