{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.98485 8.382832 8.009725 7.738643 7.525606 7.350087 7.200829 7.070988 6.956088 6.853043 6.759633 6.67421 6.595515 6.522565 6.454578 6.390922 6.331077 6.274613 6.221169 6.170437 6.122155 6.076099 6.032071 5.9899 5.961191 5.930976 5.899089 5.865332 5.829474 5.791235 5.750276 5.706181 5.658429 5.606358 5.549109 5.485537 5.414069 5.332463 5.23736 5.123391 4.981173 4.79192 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.98485e-10 8.382832000000001e-10 8.009724999999999e-10 7.738643e-10 7.525606e-10 7.350087e-10 7.200829e-10 7.070988e-10 6.956088000000001e-10 6.853043e-10 6.759633e-10 6.674210000000001e-10 6.595515e-10 6.522565e-10 6.454578e-10 6.390922e-10 6.331077e-10 6.274613e-10 6.221169e-10 6.170437e-10 6.122155000000001e-10 6.076099e-10 6.032071e-10 5.9899e-10 5.961191e-10 5.930976e-10 5.899089e-10 5.865332e-10 5.829474e-10 5.791235e-10 5.750276000000001e-10 5.706181000000001e-10 5.658429e-10 5.606358e-10 5.549109e-10 5.485537e-10 5.414068999999999e-10 5.332463e-10 5.23736e-10 5.123391e-10 4.981173e-10 4.79192e-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" [ 1.02569 1.30346 1.4115 1.49675 1.61096 1.71709 1.80805 1.89072 1.96716 2.03646 2.0976 2.15152 2.21003 2.26902 2.32274 2.36791 2.4037 2.43163 2.45313 2.46928 2.4809 2.48863 2.49289 2.4942 2.49361 2.49173 2.48839 2.48334 2.47629 2.46679 2.45416 2.4373 2.41432 2.3818 2.33488 2.26895 2.17226 2.02445 1.80353 1.47856 0.992278 0.176087 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.643336538188352e-19 2.0883731381479682e-19 2.2614723002592e-19 2.3980578571824003e-19 2.581042449043968e-19 2.7510814538094724e-19 2.89681543923744e-19 3.0292673804789763e-19 3.151737761372928e-19 3.2627686011943683e-19 3.36072567979008e-19 3.4471150431836163e-19 3.5408583972666247e-19 3.635370796127616e-19 3.721439724196992e-19 3.7938100421585286e-19 3.8511519434169605e-19 3.8959007364359043e-19 3.930347533783104e-19 3.956222686209024e-19 3.9748399785427206e-19 3.9872248038215046e-19 3.9940500762261124e-19 3.9961489275993605e-19 3.9952036433930883e-19 3.9921915513459844e-19 3.986840281432512e-19 3.978749289497472e-19 3.9674539443208326e-19 3.9522332664232324e-19 3.931997775702528e-19 3.9049850778758403e-19 3.868167059129856e-19 3.8160642754214403e-19 3.7408901483735045e-19 3.63525864376416e-19 3.4803441862990085e-19 3.24352645997856e-19 2.889573600911424e-19 2.3689142644500483e-19 1.5898046129341826e-19 2.821224746268096e-20 ] } }