{ "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 2.52887557827072e-19 2.992593557628864e-19 3.3690409764520327e-19 3.686416143266304e-19 3.959795540073408e-19 4.1983596389105284e-19 4.40822875446912e-19 4.59376080715776e-19 4.758192193750464e-19 4.903974244477056e-19 5.03307763658112e-19 5.147104546683457e-19 5.247352737846912e-19 5.334911690173633e-19 5.4107106661036805e-19 5.475550753947456e-19 5.530120889651905e-19 5.575045922099136e-19 5.610854569574016e-19 5.638011463296576e-19 5.656949190954433e-19 5.668068296702784e-19 5.671705237632001e-19 5.66994284334912e-19 5.664126942215617e-19 5.653312250025217e-19 5.636313156078529e-19 5.611559527287169e-19 5.5770646646413445e-19 5.530120889651905e-19 5.467171370220672e-19 5.383249358823168e-19 5.271385387158912e-19 5.121549829581696e-19 4.918714269388417e-19 4.63958305851264e-19 4.246104502210368e-19 3.672124727808768e-19 2.79243363239232e-19 1.3404546610858368e-19 -1.3634987674228033e-19 ] } }