{ "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" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 9.5628 8.922057 8.52495 8.236431 8.00969 7.822881 7.664022 7.525829 7.403538 7.293864 7.194446 7.103529 7.019772 6.942129 6.869769 6.802018 6.738323 6.678228 6.621345 6.56735 6.515963 6.466943 6.420083 6.3752 6.329825 6.283066 6.234836 6.185038 6.133569 6.080311 6.025136 5.967901 5.908445 5.84659 5.782134 5.714848 5.644472 5.57071 5.493218 5.411599 5.325388 5.234039 5.136899 5.033184 4.921939 4.801986 4.671842 4.529616 4.372832 4.198165 4.001006 3.774693 3.509083 3.1876 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.5628e-10 8.922057e-10 8.524950000000001e-10 8.236431e-10 8.009690000000001e-10 7.822881e-10 7.664022e-10 7.525829e-10 7.403538e-10 7.293864e-10 7.194446000000001e-10 7.103529e-10 7.019772e-10 6.942129e-10 6.869769e-10 6.802018e-10 6.738323e-10 6.678228e-10 6.621345000000001e-10 6.56735e-10 6.515963000000001e-10 6.466943e-10 6.420083e-10 6.375200000000001e-10 6.329825e-10 6.283066e-10 6.234836e-10 6.185038e-10 6.133569e-10 6.080311000000001e-10 6.025136e-10 5.967901000000001e-10 5.908445000000001e-10 5.84659e-10 5.782134000000001e-10 5.714848000000001e-10 5.644472000000001e-10 5.57071e-10 5.493218e-10 5.411599e-10 5.325388e-10 5.234039000000001e-10 5.136899e-10 5.033184000000001e-10 4.921939e-10 4.801986e-10 4.671842e-10 4.529616e-10 4.372832e-10 4.198165000000001e-10 4.0010060000000003e-10 3.774693e-10 3.509083e-10 3.1876000000000004e-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" [ 1.77184 2.37075 2.77972 3.0868 3.32868 3.52467 3.68633 3.82126 3.93468 4.03041 4.11137 4.17995 4.23801 4.28704 4.32825 4.36265 4.39105 4.41416 4.43258 4.44679 4.45726 4.46434 4.46839 4.46968 4.46833 4.46409 4.45659 4.44542 4.43013 4.41019 4.38565 4.37746 4.34397 4.30037 4.24831 4.18666 4.11406 4.029 3.92971 3.81415 3.68001 3.52466 3.34515 3.13829 2.90077 2.62956 2.32266 1.98083 1.61111 1.23464 0.904305 0.747475 1.0793 2.7423 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.83880064718656e-19 3.7983602550555e-19 4.45360243306248e-19 4.9455988338312e-19 5.333133318063119e-19 5.64714391656078e-19 5.90615179121322e-19 6.12233348443884e-19 6.30405235826712e-19 6.457428727439939e-19 6.587140947728579e-19 6.697018221288299e-19 6.79004059665834e-19 6.86859531702336e-19 6.934621016110499e-19 6.9897358923201e-19 7.0352377087257e-19 7.072264010737439e-19 7.101776104335719e-19 7.124543034304859e-19 7.141317823662839e-19 7.15266123423156e-19 7.15915004959926e-19 7.16121685745712e-19 7.15905391900122e-19 7.152260690073059e-19 7.14024436531806e-19 7.12234805231628e-19 7.09785077158242e-19 7.06590336950046e-19 7.0265859549021e-19 7.01346412826964e-19 6.959807232796979e-19 6.88995233155458e-19 6.80654301598854e-19 6.70776882650244e-19 6.59145080287404e-19 6.455169658385999e-19 6.29608954039614e-19 6.1109420085711e-19 5.896026034886339e-19 5.64712789479444e-19 5.359521167225099e-19 5.02809490871586e-19 4.64754591460818e-19 4.21301958970104e-19 3.72131158072644e-19 3.1736395419262197e-19 2.58128279680374e-19 1.9781113594017598e-19 1.44885634100937e-19 1.1975869794991498e-19 1.7292292410761998e-19 4.3936489834182e-19 ] } }