{ "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" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" [ 9.93843 9.272518 8.859813 8.559961 8.324313 8.130166 7.965068 7.821446 7.694352 7.58037 7.477047 7.382558 7.295511 7.214818 7.139616 7.069203 7.003007 6.940551 6.881434 6.825318 6.771912 6.720967 6.672266 6.62562 6.593864 6.560443 6.525171 6.487832 6.448168 6.405871 6.360565 6.31179 6.25897 6.201373 6.138048 6.067729 5.988677 5.89841 5.793214 5.66715 5.509839 5.3005 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.93843e-10 9.272518e-10 8.859813000000001e-10 8.559960999999999e-10 8.324313e-10 8.130165999999999e-10 7.965068e-10 7.821446e-10 7.694352000000001e-10 7.580370000000001e-10 7.477047e-10 7.382558000000001e-10 7.295511000000001e-10 7.214818e-10 7.139616000000001e-10 7.069203e-10 7.003007000000001e-10 6.940551000000001e-10 6.881434e-10 6.825318000000001e-10 6.771912000000001e-10 6.720967e-10 6.672266e-10 6.62562e-10 6.593864e-10 6.560443000000001e-10 6.525171e-10 6.487832e-10 6.448168e-10 6.405871000000001e-10 6.360565000000001e-10 6.311790000000001e-10 6.25897e-10 6.201373000000001e-10 6.138048000000001e-10 6.067729000000001e-10 5.988677e-10 5.89841e-10 5.793214000000001e-10 5.66715e-10 5.509839000000001e-10 5.3005e-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 0.013149 0.0636508 0.148749 0.254236 0.366335 0.475783 0.577498 0.669255 0.750513 0.821618 0.883328 0.936534 0.982122 1.02091 1.05362 1.08087 1.10319 1.12104 1.13513 1.14571 1.15296 1.15715 1.1585 1.15785 1.15574 1.15184 1.14578 1.13703 1.12495 1.10868 1.08705 1.05844 1.02059 0.970159 0.90209 0.808319 0.675269 0.478402 0.169199 -0.35547 -1.3607 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.10670203868992e-21 1.0197982365521663e-20 2.383221701673792e-20 4.073309753657088e-20 5.869333723807681e-20 7.622883991740865e-20 9.252537941587584e-20 1.0722647143535041e-19 1.2024543822064705e-19 1.3163771508284545e-19 1.4152474700980226e-19 1.5004928793843072e-19 1.5735329071733378e-19 1.635678133940928e-19 1.688085331207296e-19 1.7317446441240962e-19 1.767505226300352e-19 1.7961040789816322e-19 1.8186787475687042e-19 1.835629776216768e-19 1.847245556717568e-19 1.85395867675872e-19 1.8561216151968003e-19 1.8550802003932802e-19 1.851699607723392e-19 1.845451118902272e-19 1.8357419285802241e-19 1.821722883148224e-19 1.80236858956896e-19 1.7763011759485442e-19 1.7416460956406401e-19 1.6958078225195522e-19 1.6351654374222722e-19 1.5543660682587073e-19 1.445307507857472e-19 1.2950698039484354e-19 1.0819002045509952e-19 7.664844997439616e-20 2.710866820627392e-20 -5.69525723395776e-20 -2.18008172792256e-19 ] } }