{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.4221 5.058799 4.833639 4.670048 4.541486 4.435565 4.345493 4.267137 4.197798 4.135613 4.079243 4.027693 3.980202 3.936179 3.895151 3.856736 3.820621 3.786547 3.754294 3.723679 3.694542 3.666749 3.640179 3.61473 3.597405 3.579171 3.559928 3.539557 3.517917 3.494841 3.470123 3.443513 3.414696 3.383272 3.348724 3.31036 3.267231 3.217984 3.160591 3.091814 3.00599 2.89178 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.4221e-10 5.058799e-10 4.833639e-10 4.670048e-10 4.541486e-10 4.4355650000000004e-10 4.3454930000000005e-10 4.267137e-10 4.197798e-10 4.135613e-10 4.079243e-10 4.0276930000000003e-10 3.980202e-10 3.9361790000000004e-10 3.895151e-10 3.8567360000000003e-10 3.820621e-10 3.7865470000000003e-10 3.754294e-10 3.7236790000000003e-10 3.6945420000000005e-10 3.666749e-10 3.640179e-10 3.61473e-10 3.5974050000000005e-10 3.5791710000000005e-10 3.5599280000000004e-10 3.539557e-10 3.517917e-10 3.4948410000000003e-10 3.4701230000000003e-10 3.443513e-10 3.4146960000000004e-10 3.383272e-10 3.348724e-10 3.3103600000000004e-10 3.2672310000000004e-10 3.217984e-10 3.160591e-10 3.091814e-10 3.00599e-10 2.89178e-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 0 1.72814 1.9913 2.2127 2.4024 2.56682 2.71038 2.83629 2.94698 3.04435 3.12989 3.20486 3.27026 3.32696 3.37569 3.41708 3.45168 3.47997 3.50237 3.51925 3.53095 3.53778 3.54 3.53893 3.53541 3.5289 3.51871 3.50396 3.66254 3.64178 3.61268 3.57271 3.51833 3.44448 3.34368 3.20443 3.00822 2.72333 2.29086 1.58824 0.312418 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.7687855054693123e-19 3.1904143049990403e-19 3.54513620884416e-19 3.8490691138099204e-19 4.112498993801856e-19 4.342507469483904e-19 4.544237527808832e-19 4.721582457965184e-19 4.87758639553248e-19 5.014636583675712e-19 5.134751764937088e-19 5.239534115937408e-19 5.330377530336768e-19 5.408451597068353e-19 5.474765687403264e-19 5.530200998482945e-19 5.575526575085376e-19 5.611415331391296e-19 5.6384600727504e-19 5.65720553921376e-19 5.668148405533825e-19 5.671705237632001e-19 5.669990908647744e-19 5.664351246942529e-19 5.653921077141121e-19 5.637594897375168e-19 5.613962792218369e-19 5.868035960744832e-19 5.834774774097024e-19 5.788151434431745e-19 5.724112434898368e-19 5.636986070259265e-19 5.518665326813184e-19 5.357165923436545e-19 5.134062828990144e-19 4.819699754222976e-19 4.363255656723264e-19 3.670362333525888e-19 2.5446409962193923e-19 5.005488155170944e-20 ] } }