{ "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 3.589003 3.56249 3.535144 3.506909 3.477726 3.447529 3.416245 3.383792 3.350081 3.31501 3.278463 3.240312 3.20041 3.158586 3.114649 3.068371 3.01949 2.967695 2.912617 2.853811 2.790735 2.722722 2.648931 2.568289 2.479393 2.380358 2.268569 2.14025 1.98965 1.80737 ] "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 3.589003e-10 3.5624900000000003e-10 3.535144e-10 3.506909e-10 3.4777260000000003e-10 3.447529e-10 3.416245e-10 3.3837920000000003e-10 3.350081e-10 3.31501e-10 3.278463e-10 3.240312e-10 3.20041e-10 3.158586e-10 3.114649e-10 3.068371e-10 3.0194899999999997e-10 2.967695e-10 2.912617e-10 2.853811e-10 2.7907350000000003e-10 2.722722e-10 2.648931e-10 2.568289e-10 2.479393e-10 2.3803580000000004e-10 2.268569e-10 2.1402500000000002e-10 1.98965e-10 1.80737e-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 3.53762 3.52994 3.51604 3.49483 3.64879 3.61754 3.57509 3.51932 3.44767 3.35701 3.24349 3.10237 2.92775 2.71219 2.44633 2.11812 1.71203 1.20768 0.57803 0.553724 -0.297561 -1.38056 -2.77191 -4.58035 -6.96327 -9.42342 -13.3802 -16.8514 -21.4608 -18.7838 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.76878552828076e-19 3.1904143312842e-19 3.5451362380517994e-19 3.8490691455216e-19 4.1124990276838794e-19 4.34250750526092e-19 4.54423756524786e-19 4.721582496865319e-19 4.8775864357179e-19 5.01463662499026e-19 5.13475180724124e-19 5.23953415910484e-19 5.3303775742526395e-19 5.40845164162746e-19 5.47476573250872e-19 5.53020104404512e-19 5.57552662102098e-19 5.61141537762258e-19 5.6384601192045e-19 5.6572055858223e-19 5.66814845223252e-19 5.67170528436e-19 5.667892103971079e-19 5.65558738742196e-19 5.633317132209359e-19 5.599334965802219e-19 5.84600608037286e-19 5.795938060560359e-19 5.72792566244706e-19 5.6385722715688795e-19 5.52377631574278e-19 5.3785229821043395e-19 5.196643890612659e-19 4.97054472402258e-19 4.6907726401935e-19 4.34540744496846e-19 3.91945276505322e-19 3.3936023720080794e-19 2.7429744627070197e-19 1.93491667734912e-19 9.2610615975102e-20 8.87163654485016e-20 -4.76745281389674e-20 -2.2119009738350397e-19 -4.441089433550939e-19 -7.3385297455419e-19 -1.1156388490233178e-18 -1.5097983336368279e-18 -2.14374437982468e-18 -2.6998919330187602e-18 -3.4383992306947195e-18 -3.0094965457729197e-18 ] } }