{ "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" [ 5.43 5.06617 4.840683 4.676854 4.548105 4.44203 4.351826 4.273356 4.203916 4.141641 4.085189 4.033563 3.986004 3.941917 3.900829 3.862358 3.826191 3.792067 3.759767 3.729108 3.699929 3.672094 3.645486 3.62 3.594235 3.567684 3.540298 3.512021 3.482796 3.452555 3.421225 3.388725 3.354965 3.319842 3.283242 3.245035 3.205074 3.16319 3.119188 3.072843 3.02389 2.97202 2.916861 2.857969 2.794802 2.726689 2.65279 2.572031 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43e-10 5.06617e-10 4.840683e-10 4.676853999999999e-10 4.5481049999999996e-10 4.44203e-10 4.351826e-10 4.273356e-10 4.203916000000001e-10 4.141641e-10 4.085189e-10 4.033563e-10 3.986004e-10 3.9419170000000004e-10 3.900829e-10 3.862358e-10 3.8261910000000004e-10 3.792067e-10 3.759767e-10 3.729108e-10 3.6999290000000003e-10 3.6720940000000003e-10 3.645486e-10 3.6200000000000004e-10 3.594235e-10 3.567684e-10 3.540298e-10 3.512021e-10 3.4827960000000004e-10 3.452555e-10 3.421225e-10 3.388725e-10 3.354965e-10 3.319842e-10 3.283242e-10 3.2450350000000005e-10 3.205074e-10 3.1631900000000004e-10 3.1191879999999997e-10 3.072843e-10 3.02389e-10 2.9720200000000004e-10 2.916861e-10 2.8579690000000003e-10 2.794802e-10 2.726689e-10 2.6527900000000003e-10 2.572031e-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" [ 1.42896 1.44403 1.76908 2.20897 2.59739 2.80422 2.88432 2.93782 2.99168 3.04466 3.10093 3.15983 3.21907 3.27622 3.32899 3.37588 3.41627 3.45029 3.47842 3.50113 3.51859 3.53077 3.53776 3.54 3.53778 3.53138 3.5213 3.50789 3.49026 3.46486 3.42598 3.36796 3.28677 3.17945 3.04303 2.87416 2.66844 2.41708 2.10568 1.72158 1.28837 0.848279 0.339332 -0.419062 -1.27067 -1.78002 -0.618533 7.03067 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2894463229206397e-19 2.31359112479502e-19 2.8343786396767197e-19 3.5391601192069794e-19 4.1614775673852596e-19 4.492855760595479e-19 4.62119010897888e-19 4.706906558897879e-19 4.7931997924051195e-19 4.87808311047444e-19 4.96823758966962e-19 5.062605793412219e-19 5.15751873721038e-19 5.24908313184348e-19 5.33362999281966e-19 5.408756055187919e-19 5.47346796943518e-19 5.527974018523859e-19 5.57304324723828e-19 5.60942867859642e-19 5.63740268262606e-19 5.65691719402818e-19 5.668116408699839e-19 5.67170528436e-19 5.66814845223252e-19 5.657894521774919e-19 5.6417445813042e-19 5.62025939264226e-19 5.59201301858484e-19 5.55131773208124e-19 5.4890251045513195e-19 5.396066816246639e-19 5.26598609533218e-19 5.0940404989713e-19 4.87547156256102e-19 4.604911994377439e-19 4.2753122172309596e-19 3.8725890985087196e-19 3.3736712946811197e-19 2.75827524956172e-19 2.0641963099465799e-19 1.359092792912886e-19 5.43669801568488e-20 -6.71411344597308e-20 -2.03583778352478e-19 -2.8519064520526797e-19 -9.909991199579219e-20 1.126437519536478e-18 ] } }