{ "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" [ 4.88356 4.556344 4.353549 4.206207 4.090414 3.995014 3.913888 3.843316 3.780864 3.724855 3.674084 3.627654 3.584881 3.54523 3.508277 3.473678 3.441151 3.410461 3.381412 3.353837 3.327595 3.302562 3.278631 3.25571 3.232538 3.208659 3.184028 3.158598 3.132313 3.105115 3.076939 3.047709 3.017347 2.985758 2.952842 2.91848 2.882541 2.844871 2.805297 2.763616 2.71959 2.672939 2.623332 2.570366 2.513556 2.452298 2.385836 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.88356e-10 4.556344e-10 4.353549e-10 4.206207e-10 4.090414e-10 3.995014e-10 3.913888e-10 3.8433160000000005e-10 3.7808639999999997e-10 3.724855e-10 3.6740840000000003e-10 3.627654e-10 3.5848810000000004e-10 3.54523e-10 3.508277e-10 3.4736780000000003e-10 3.4411510000000004e-10 3.410461e-10 3.381412e-10 3.353837e-10 3.3275950000000004e-10 3.3025620000000003e-10 3.278631e-10 3.25571e-10 3.232538e-10 3.208659e-10 3.184028e-10 3.158598e-10 3.132313e-10 3.105115e-10 3.076939e-10 3.047709e-10 3.017347e-10 2.985758e-10 2.952842e-10 2.91848e-10 2.882541e-10 2.844871e-10 2.805297e-10 2.763616e-10 2.71959e-10 2.672939e-10 2.623332e-10 2.5703660000000003e-10 2.513556e-10 2.452298e-10 2.385836e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.626513 1.05077 1.39261 1.69056 1.95665 2.19575 2.41109 2.60555 2.78175 2.94192 3.08777 3.22034 3.34012 3.44724 3.54172 3.62374 3.69369 3.75214 3.79975 3.83725 3.86535 3.88472 3.89595 3.89958 3.89572 3.8834 3.86133 3.82807 3.78161 3.71882 3.63622 3.52938 3.3927 3.21909 2.99971 2.72345 2.37638 1.94075 1.39376 0.705561 -0.163431 -1.26672 -2.67802 -4.50151 -6.88788 -10.0614 -14.3675 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0037844894972419e-19 1.6835191417081798e-19 2.2312072022747397e-19 2.7085757303750397e-19 3.1348989109161e-19 3.5179793441054993e-19 3.86299206047106e-19 4.1745513287186997e-19 4.4568548516295e-19 4.71347548309728e-19 4.94715294516618e-19 5.15955350153556e-19 5.35146221875608e-19 5.523087379790159e-19 5.67446102817048e-19 5.8058715556911595e-19 5.917943811239459e-19 6.011591035496759e-19 6.0878706650415e-19 6.1479522888165e-19 6.192973452231899e-19 6.22400761363248e-19 6.2420000572323e-19 6.24781595841372e-19 6.24163155660648e-19 6.2218927404756e-19 6.18653270216322e-19 6.133244307316379e-19 6.05880718090074e-19 5.95820651005188e-19 5.825866720083479e-19 5.65469016850692e-19 5.4357046661718e-19 5.157550780743059e-19 4.80606527077614e-19 4.3634479538673e-19 3.80738050950492e-19 3.1094243024354996e-19 2.23304970540384e-19 1.1304333480616738e-19 -2.6184532947125397e-20 -2.02950918582048e-19 -4.29066106938468e-19 -7.212214139717339e-19 -1.103560039379592e-18 -1.61201399853276e-18 -2.3019272788994996e-18 ] } }