{ "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 6.344645 6.312486 6.278548 6.24262 6.204455 6.163756 6.120163 6.073231 6.022407 5.966987 5.906055 5.838394 5.762329 5.675474 5.574253 5.452953 5.301587 5.10016 ] "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 6.344645e-10 6.312486e-10 6.278548e-10 6.24262e-10 6.204455000000001e-10 6.163756e-10 6.120163e-10 6.073231e-10 6.022407000000001e-10 5.966987e-10 5.906055e-10 5.838394e-10 5.762329000000001e-10 5.675474000000001e-10 5.574253e-10 5.452953e-10 5.301587e-10 5.10016e-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 4.46907 4.4671 4.46352 4.45802 4.45019 4.43956 4.4255 4.40721 4.38507 4.3771 4.3424 4.29413 4.23095 4.14707 4.0333 3.8741 3.64083 3.2736 ] "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 7.16023952971038e-19 7.1570832417414e-19 7.15134744939168e-19 7.14253547790468e-19 7.12999043486046e-19 7.11295929724104e-19 7.090432693767e-19 7.061128883131139e-19 7.025656692454379e-19 7.012887344681401e-19 6.957291815481599e-19 6.87995474935842e-19 6.7787292296223e-19 6.64433865356238e-19 6.462059017912199e-19 6.2069924977794e-19 5.833252754366219e-19 5.2448854290624e-19 ] } }