{ "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" [ 4.27998 3.993206 3.815474 3.686343 3.584861 3.501252 3.430152 3.368302 3.313569 3.264483 3.219986 3.179295 3.141808 3.107058 3.074672 3.044349 3.015842 2.988945 2.963486 2.93932 2.916321 2.894381 2.873408 2.85332 2.839645 2.825252 2.810062 2.793982 2.776901 2.758686 2.739175 2.71817 2.695423 2.670619 2.643348 2.613066 2.579022 2.540149 2.494846 2.440557 2.372811 2.28266 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.27998e-10 3.993206e-10 3.8154740000000004e-10 3.686343e-10 3.584861e-10 3.5012520000000003e-10 3.4301520000000004e-10 3.3683020000000003e-10 3.3135690000000003e-10 3.2644829999999997e-10 3.219986e-10 3.1792950000000005e-10 3.1418080000000004e-10 3.107058e-10 3.074672e-10 3.044349e-10 3.015842e-10 2.9889450000000003e-10 2.9634860000000003e-10 2.93932e-10 2.916321e-10 2.894381e-10 2.873408e-10 2.85332e-10 2.839645e-10 2.825252e-10 2.8100619999999997e-10 2.7939820000000003e-10 2.7769010000000003e-10 2.758686e-10 2.739175e-10 2.71817e-10 2.695423e-10 2.670619e-10 2.6433480000000004e-10 2.613066e-10 2.5790220000000004e-10 2.540149e-10 2.494846e-10 2.440557e-10 2.372811e-10 2.28266e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.960062 1.3747 1.69279 1.95255 2.17212 2.36071 2.52407 2.66677 2.79188 2.90188 2.99866 3.08372 3.15826 3.2233 3.27969 3.32816 3.36935 3.40384 3.43207 3.45442 3.47125 3.48292 3.48971 3.49192 3.49086 3.48736 3.4809 3.47078 3.45618 3.43601 3.40883 3.37266 3.32474 3.26138 3.17721 3.06414 2.91006 2.6957 2.38805 1.9264 1.1843 -0.149652 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5381888909184898e-19 2.2025122006137603e-19 2.712148561924032e-19 3.12832996094304e-19 3.4801198815720964e-19 3.7822743704887684e-19 4.0440059432626563e-19 4.2726365470508165e-19 4.473084864079104e-19 4.649324292367104e-19 4.804382945728129e-19 4.940664089093377e-19 5.060090334407808e-19 5.16429590182464e-19 5.254642641471552e-19 5.332300142281728e-19 5.39829379729248e-19 5.453552868943872e-19 5.498782314949056e-19 5.534590962423936e-19 5.561555594952e-19 5.580252996116736e-19 5.591131775371968e-19 5.594672585703936e-19 5.592974278485889e-19 5.587366660313088e-19 5.5770165993427205e-19 5.560802571940224e-19 5.537410793276544e-19 5.505094890835009e-19 5.461547730281665e-19 5.403597001907329e-19 5.326820698238592e-19 5.225306787544704e-19 5.090451581371968e-19 4.909293470858112e-19 4.662430097125249e-19 4.3189875166905603e-19 3.82607787930144e-19 3.08643304230912e-19 1.89745777201344e-19 -2.3976893565596162e-20 ] } }