{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.59692 4.288909 4.098016 3.959322 3.850325 3.760524 3.684159 3.617728 3.558942 3.506221 3.45843 3.414725 3.374462 3.337138 3.302354 3.269785 3.239167 3.210278 3.182934 3.156978 3.132276 3.108712 3.086186 3.06461 3.049922 3.034463 3.018149 3.000878 2.982532 2.962968 2.942012 2.919451 2.89502 2.868379 2.839089 2.806564 2.769999 2.728247 2.679589 2.62128 2.548517 2.45169 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.59692e-10 4.2889090000000003e-10 4.0980160000000007e-10 3.9593219999999997e-10 3.8503250000000003e-10 3.7605240000000005e-10 3.6841590000000004e-10 3.617728e-10 3.558942e-10 3.506221e-10 3.45843e-10 3.414725e-10 3.374462e-10 3.337138e-10 3.3023539999999997e-10 3.2697850000000003e-10 3.2391670000000004e-10 3.2102780000000005e-10 3.182934e-10 3.1569780000000003e-10 3.132276e-10 3.108712e-10 3.0861860000000003e-10 3.06461e-10 3.0499220000000003e-10 3.0344630000000003e-10 3.0181490000000003e-10 3.000878e-10 2.982532e-10 2.962968e-10 2.942012e-10 2.919451e-10 2.89502e-10 2.868379e-10 2.839089e-10 2.806564e-10 2.769999e-10 2.728247e-10 2.6795890000000004e-10 2.6212800000000004e-10 2.548517e-10 2.4516900000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.78446 1.14167 1.41151 1.6319 1.81693 1.98159 2.12863 2.25992 2.37709 2.48151 2.5743 2.6564 2.72865 2.79293 2.85406 2.91197 2.96554 3.0131 3.05147 3.08189 3.10491 3.12096 3.13037 3.13345 3.13195 3.127 3.1178 3.1033 3.08216 3.05261 3.01232 2.95811 2.8856 2.7886 2.6581 2.48049 2.23431 1.88282 1.36538 0.568379 -0.747325 -3.14624 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2568434719527681e-19 1.829156982668736e-19 2.261488322025408e-19 2.61459202748352e-19 2.911042767630144e-19 3.174857170011072e-19 3.4104412203335037e-19 3.6207909888783363e-19 3.808518023537472e-19 3.9758173062814084e-19 4.1244832749254405e-19 4.2560219754931204e-19 4.37177923634592e-19 4.474767149530945e-19 4.572708206360448e-19 4.665490254470977e-19 4.751318856047232e-19 4.82751837613248e-19 4.888993893072576e-19 4.937732105877313e-19 4.974614211688128e-19 5.000329146451968e-19 5.015405628453696e-19 5.02034033244576e-19 5.01793706751456e-19 5.0100062932416e-19 4.99526626833024e-19 4.97203470732864e-19 4.938164693564928e-19 4.890820374420289e-19 4.826268678368256e-19 4.739414683754688e-19 4.623240856980481e-19 4.467829724762881e-19 4.2587456757484806e-19 3.9741830861281925e-19 3.579759245619648e-19 3.0166101851746563e-19 2.187579914507904e-19 9.106435455536832e-20 -1.1973466431393602e-19 -5.040832171425792e-19 ] } }