{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.34121 4.050333 3.870059 3.73908 3.636147 3.551341 3.479225 3.416489 3.360973 3.311185 3.266052 3.224778 3.186755 3.151508 3.118659 3.087902 3.058987 3.031705 3.005882 2.98137 2.958042 2.935789 2.914516 2.89414 2.880269 2.86567 2.850263 2.833952 2.816627 2.798151 2.778361 2.757055 2.733983 2.708823 2.681162 2.650446 2.615915 2.576485 2.530534 2.475467 2.406752 2.31531 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3412100000000006e-10 4.050333e-10 3.8700590000000003e-10 3.73908e-10 3.636147e-10 3.551341e-10 3.479225e-10 3.416489e-10 3.3609730000000003e-10 3.3111850000000003e-10 3.2660520000000004e-10 3.2247780000000003e-10 3.186755e-10 3.1515080000000004e-10 3.118659e-10 3.0879020000000004e-10 3.0589870000000005e-10 3.031705e-10 3.0058820000000004e-10 2.9813700000000004e-10 2.958042e-10 2.9357890000000005e-10 2.914516e-10 2.89414e-10 2.8802690000000003e-10 2.8656700000000005e-10 2.850263e-10 2.833952e-10 2.816627e-10 2.798151e-10 2.778361e-10 2.757055e-10 2.733983e-10 2.708823e-10 2.6811620000000003e-10 2.650446e-10 2.6159150000000004e-10 2.576485e-10 2.530534e-10 2.475467e-10 2.406752e-10 2.3153100000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.11593 1.42262 1.6526 1.84589 2.02644 2.19713 2.3532 2.4898 2.60787 2.71251 2.80683 2.8928 2.9719 3.04454 3.11079 3.17069 3.224 3.27008 3.3081 3.33755 3.35862 3.37208 3.37921 3.38131 3.38043 3.37773 3.37301 3.36589 3.35576 3.34176 3.3227 3.29685 3.26174 3.21365 3.1471 3.05387 2.92144 2.72931 2.44057 1.97859 1.13636 -0.963673 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7879169564493442e-19 2.279288504282496e-19 2.6477570835340803e-19 2.9574418025685124e-19 3.2467147914539524e-19 3.5201903188583045e-19 3.7702420240665606e-19 3.98909935046784e-19 4.1782683440856964e-19 4.345920105686208e-19 4.497037404560065e-19 4.63477652865024e-19 4.761508699355521e-19 4.877890809090432e-19 4.984035010218433e-19 5.080005389804352e-19 5.165417425459201e-19 5.239245724145664e-19 5.30016047926848e-19 5.34734458075104e-19 5.381102442151296e-19 5.402667739467264e-19 5.414091258773568e-19 5.417455829677248e-19 5.416045914250944e-19 5.411720037374785e-19 5.404157763724608e-19 5.392750266184512e-19 5.376520217015808e-19 5.354089744324608e-19 5.32355225793216e-19 5.28213599228448e-19 5.225883571128192e-19 5.14883489743392e-19 5.042210043319681e-19 4.892839116962496e-19 4.680662867069953e-19 4.372836672915648e-19 3.9102241954258563e-19 3.170050640148672e-19 1.8206494248122882e-19 -1.5439743506961984e-19 ] } }