{ "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" [ 5.41998 5.056821 4.83175 4.668224 4.539712 4.433833 4.343795 4.265471 4.196159 4.133998 4.07765 4.02612 3.978649 3.934643 3.89363 3.855231 3.81913 3.785069 3.752829 3.722226 3.693101 3.665318 3.638759 3.61332 3.596002 3.577775 3.55854 3.538177 3.516546 3.493479 3.468771 3.442172 3.413366 3.381955 3.347421 3.309072 3.26596 3.216733 3.159364 3.090614 3.004824 2.89066 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41998e-10 5.056821e-10 4.83175e-10 4.668224000000001e-10 4.539712e-10 4.433833e-10 4.343795e-10 4.265471e-10 4.196159e-10 4.1339980000000003e-10 4.0776500000000004e-10 4.02612e-10 3.978649e-10 3.934643e-10 3.89363e-10 3.855231e-10 3.81913e-10 3.785069e-10 3.752829e-10 3.7222260000000004e-10 3.693101e-10 3.6653180000000003e-10 3.6387589999999997e-10 3.61332e-10 3.596002e-10 3.577775e-10 3.55854e-10 3.538177e-10 3.516546e-10 3.493479e-10 3.468771e-10 3.442172e-10 3.413366e-10 3.381955e-10 3.347421e-10 3.3090720000000004e-10 3.26596e-10 3.216733e-10 3.1593640000000004e-10 3.090614e-10 3.004824e-10 2.8906600000000003e-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 1.5784 1.86783 2.10279 2.30088 2.47151 2.62041 2.7514 2.8672 2.96983 3.06082 3.1414 3.21257 3.27514 3.32979 3.3771 3.41757 3.45163 3.47967 3.50202 3.51897 3.53079 3.53773 3.54 3.5389 3.53527 3.52852 3.51791 3.50246 3.48093 3.45163 3.41234 3.35996 3.29014 3.19662 3.07002 2.8958 2.65021 2.29196 1.7429 0.836646 -0.851029 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.5288755991056e-19 2.99259358228422e-19 3.36904100420886e-19 3.6864161736379197e-19 3.9597955726973396e-19 4.19835967349994e-19 4.4082287907876e-19 4.593760845004799e-19 4.758192232952219e-19 4.90397428487988e-19 5.033077678047599e-19 5.1471045890893795e-19 5.24735278107876e-19 5.33491173412686e-19 5.410710710681399e-19 5.475550799059379e-19 5.53012093521342e-19 5.57504596803078e-19 5.610854615800679e-19 5.638011509746979e-19 5.65694923756086e-19 5.66806834340082e-19 5.67170528436e-19 5.669942890062599e-19 5.66412698888118e-19 5.653312296601679e-19 5.63631320251494e-19 5.61155957351964e-19 5.57706471058962e-19 5.53012093521342e-19 5.46717141526356e-19 5.38324940317464e-19 5.271385430588759e-19 5.12154987177708e-19 4.91871430991268e-19 4.6395830967372e-19 4.2461045371931397e-19 3.6721247580626396e-19 2.7924336553986e-19 1.340454672129564e-19 -1.363498778656386e-19 ] } }