{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.32926 7.771169 7.425286 7.173984 6.976491 6.813779 6.675412 6.555045 6.448529 6.353003 6.266409 6.187219 6.114266 6.046639 5.983613 5.924601 5.869123 5.816779 5.767234 5.720204 5.675445 5.632749 5.591934 5.55284 5.526226 5.498216 5.468655 5.437361 5.40412 5.368671 5.3307 5.289822 5.245555 5.197283 5.144211 5.085277 5.019024 4.943373 4.855209 4.749555 4.617715 4.44227 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.32926e-10 7.771169e-10 7.425286e-10 7.173984e-10 6.976491000000001e-10 6.813779e-10 6.675412e-10 6.555045e-10 6.448529e-10 6.353003000000001e-10 6.266409000000001e-10 6.187219e-10 6.114266e-10 6.046639e-10 5.983613e-10 5.924601000000001e-10 5.869123e-10 5.816779000000001e-10 5.767234e-10 5.720204e-10 5.675445e-10 5.632749e-10 5.591934000000001e-10 5.55284e-10 5.526226e-10 5.498216000000001e-10 5.468655e-10 5.437361e-10 5.40412e-10 5.368671e-10 5.3307e-10 5.289822e-10 5.245555e-10 5.197283e-10 5.144211e-10 5.085277e-10 5.019024e-10 4.943373e-10 4.855209000000001e-10 4.749555e-10 4.6177149999999996e-10 4.44227e-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 0 0 0 0.441643 1.46554 2.47982 3.16448 3.43925 3.56493 3.67523 3.77196 3.85658 3.93029 3.99411 4.04889 4.09536 4.13417 4.16586 4.19094 4.20982 4.22291 4.23053 4.23301 4.23181 4.22789 4.22064 4.20929 4.19287 4.17011 4.13935 4.09839 4.0442 3.97259 3.87757 3.75031 3.57727 3.33671 2.99146 2.47261 1.637 0.130809 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 7.07590095169662e-20 2.34805394419236e-19 3.97310966052588e-19 5.07005591476032e-19 5.5102859884845e-19 5.711647547845619e-19 5.88836763057582e-19 6.043346176382639e-19 6.17892236315172e-19 6.297018802843859e-19 6.39926971562574e-19 6.48703695163626e-19 6.56149009981824e-19 6.62367057498378e-19 6.67444355251524e-19 6.71462614249596e-19 6.7448752373458795e-19 6.765847729484939e-19 6.778056315436019e-19 6.78202971348834e-19 6.78010710152754e-19 6.77382656912226e-19 6.76221078852576e-19 6.74402608372986e-19 6.71771834339958e-19 6.68125280320974e-19 6.6319698499479e-19 6.56634469501926e-19 6.479522743222799e-19 6.3647908744620595e-19 6.21255205069938e-19 6.00865905225654e-19 5.731418407509179e-19 5.34599879643414e-19 4.79284731354564e-19 3.9615579669947396e-19 2.622763149858e-19 2.09579123316906e-20 ] } }