{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.88457 4.557286 4.354448 4.207076 4.091259 3.995839 3.914696 3.844108 3.781643 3.725623 3.674842 3.628402 3.58562 3.545961 3.509 3.474394 3.441859 3.411163 3.382108 3.354528 3.32828 3.303241 3.279306 3.25638 3.240773 3.224346 3.207011 3.188659 3.169165 3.148376 3.126109 3.102137 3.076176 3.047868 3.016745 2.982184 2.94333 2.898966 2.847263 2.785304 2.707987 2.6051 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.884570000000001e-10 4.5572860000000006e-10 4.354448e-10 4.207076e-10 4.091259e-10 3.9958390000000003e-10 3.914696e-10 3.844108e-10 3.781643e-10 3.725623e-10 3.674842e-10 3.628402e-10 3.58562e-10 3.5459610000000004e-10 3.509e-10 3.4743940000000006e-10 3.441859e-10 3.411163e-10 3.382108e-10 3.3545280000000003e-10 3.32828e-10 3.303241e-10 3.279306e-10 3.25638e-10 3.240773e-10 3.224346e-10 3.2070110000000003e-10 3.188659e-10 3.169165e-10 3.148376e-10 3.126109e-10 3.102137e-10 3.076176e-10 3.047868e-10 3.016745e-10 2.9821840000000004e-10 2.9433300000000003e-10 2.898966e-10 2.847263e-10 2.785304e-10 2.7079870000000004e-10 2.6051e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.687043 1.06081 1.37045 1.63893 1.88295 2.10535 2.31259 2.50215 2.67469 2.83162 2.97409 3.10185 3.21627 3.32024 3.41259 3.4932 3.56262 3.62145 3.67022 3.7094 3.73973 3.76157 3.77434 3.7783 3.77647 3.77036 3.75846 3.73895 3.71007 3.6699 3.61557 3.54277 3.44441 3.31201 3.13634 2.89479 2.55053 2.04335 1.27697 0.0686117 -2.05541 -6.68621 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1007642411532619e-19 1.69960499511354e-19 2.1957029680652997e-19 2.62585535076162e-19 3.0168184929902995e-19 3.3731425763919e-19 3.70517766202206e-19 4.0088862647630993e-19 4.28532582119346e-19 4.536755400367079e-19 4.76501750541306e-19 4.9697115921729e-19 5.15303264263518e-19 5.31961094727216e-19 5.467571959422059e-19 5.596723417888799e-19 5.70794651982108e-19 5.802202571199299e-19 5.88034072563948e-19 5.9431140061596e-19 5.99170802346882e-19 6.026699561155379e-19 6.04715935677156e-19 6.0535039762422e-19 6.05057199300198e-19 6.04078269376824e-19 6.02171679182364e-19 5.9904583256943e-19 5.944187464504379e-19 5.8798280291166e-19 5.7927817725913795e-19 5.676143313636179e-19 5.518553219915939e-19 5.306425033574339e-19 5.02497066427956e-19 4.63796489833686e-19 4.08639957031602e-19 3.2738076250839002e-19 2.0459314963189797e-19 1.0992806255901778e-20 -3.29312987528994e-19 -1.0712489432017139e-18 ] } }