{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.06524 5.658846 5.406979 5.223984 5.080173 4.961688 4.860931 4.773282 4.695718 4.626157 4.563101 4.505436 4.452312 4.403067 4.357173 4.314201 4.273803 4.235687 4.199609 4.165362 4.132769 4.101679 4.071957 4.04349 4.02411 4.003714 3.982188 3.9594 3.935194 3.909381 3.881731 3.851965 3.819729 3.784579 3.745933 3.703018 3.654774 3.599685 3.535485 3.458551 3.362546 3.23479 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06524e-10 5.658845999999999e-10 5.406979e-10 5.223984e-10 5.080173e-10 4.961688e-10 4.860931e-10 4.773282e-10 4.695718e-10 4.6261570000000003e-10 4.563101e-10 4.5054360000000004e-10 4.4523120000000004e-10 4.4030670000000004e-10 4.3571730000000004e-10 4.314201e-10 4.273803e-10 4.2356870000000007e-10 4.199609e-10 4.165362e-10 4.132769e-10 4.101679e-10 4.071957e-10 4.0434900000000005e-10 4.0241100000000007e-10 4.0037140000000007e-10 3.982188e-10 3.9594000000000003e-10 3.935194e-10 3.909381e-10 3.881731e-10 3.851965e-10 3.819729e-10 3.784579e-10 3.745933e-10 3.703018e-10 3.654774e-10 3.5996850000000004e-10 3.535485e-10 3.458551e-10 3.362546e-10 3.23479e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -0.460873 -0.652019 -0.713161 -0.689211 -0.616082 -0.518964 -0.413561 -0.190388 -0.0442285 0.095459 0.225482 0.344188 0.45094 0.545817 0.629254 0.701842 0.764209 0.816964 0.86065 0.895728 0.922573 0.941481 0.952683 0.956369 0.954594 0.948986 0.940299 0.931657 0.877179 0.708634 0.518916 0.314599 0.0869877 -0.170145 -0.464141 -0.805001 -1.20846 -1.70441 -2.32843 -3.17698 -4.39858 -6.31372 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.383999457579584e-20 -1.0446495981173953e-19 -1.1426098810663489e-19 -1.104237750998189e-19 -9.870721768957057e-20 -8.314719878368513e-20 -6.625977654746688e-20 -3.050352024808704e-20 -7.08618686730528e-21 1.5294217804494722e-20 3.612619888112256e-20 5.514499667599104e-20 7.224855253835521e-20 8.744952366351937e-20 1.0081760473448832e-19 1.1244748438955137e-19 1.2243977932049474e-19 1.3089206208352512e-19 1.3789133086915201e-19 1.4351144601959423e-19 1.4781248915813185e-19 1.508418847127405e-19 1.5263664296336063e-19 1.5322720526578752e-19 1.5294281891559554e-19 1.5204431826665088e-19 1.5065250743616194e-19 1.4926790640046657e-19 1.4053956860567234e-19 1.1353568275039873e-19 8.31395083359053e-20 5.0404316272705927e-20 1.3936965923716416e-20 -2.72602341146016e-20 -7.436358589547328e-20 -1.2897537819206208e-19 -1.9361663591719682e-19 -2.7307658542577283e-19 -3.730556109169344e-19 -5.090083080749184e-19 -7.047302040718464e-19 -1.0115694574277376e-18 ] } }