{ "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" [ 4.95716 4.625011 4.419159 4.269596 4.152058 4.055219 3.97287 3.901234 3.837841 3.780988 3.729451 3.682321 3.638903 3.598655 3.561145 3.526024 3.493006 3.461854 3.432367 3.404377 3.377739 3.352328 3.328037 3.30477 3.288931 3.272261 3.254668 3.236044 3.21626 3.195163 3.172565 3.148236 3.121891 3.093162 3.061577 3.026502 2.987072 2.942049 2.889578 2.826699 2.748235 2.64382 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95716e-10 4.625011e-10 4.419159e-10 4.269596e-10 4.1520580000000006e-10 4.0552190000000005e-10 3.97287e-10 3.9012340000000004e-10 3.837841e-10 3.780988e-10 3.7294510000000003e-10 3.6823210000000003e-10 3.638903e-10 3.598655e-10 3.561145e-10 3.526024e-10 3.493006e-10 3.4618540000000005e-10 3.4323670000000003e-10 3.4043770000000006e-10 3.377739e-10 3.352328e-10 3.328037e-10 3.30477e-10 3.288931e-10 3.272261e-10 3.2546680000000003e-10 3.236044e-10 3.21626e-10 3.195163e-10 3.172565e-10 3.148236e-10 3.121891e-10 3.093162e-10 3.0615770000000005e-10 3.026502e-10 2.987072e-10 2.942049e-10 2.889578e-10 2.8266990000000004e-10 2.748235e-10 2.64382e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.419438 0.710981 0.961247 1.19169 1.40054 1.59322 1.77436 1.93391 2.07934 2.21167 2.33162 2.42909 2.5235 2.60957 2.68578 2.75259 2.81037 2.86154 2.90775 2.94177 2.96713 2.9849 2.99535 3.00077 2.99903 2.99325 2.98256 2.96576 2.93811 2.90381 2.85702 2.79336 2.70787 2.59309 2.43809 2.22641 1.93226 1.51308 0.894028 -0.0698199 -1.68569 -4.75934 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.720137574751104e-20 1.139117136033005e-19 1.5400874702141375e-19 1.909297857241152e-19 2.2439124444952317e-19 2.552619835790976e-19 2.8428381088826883e-19 3.0984653887313284e-19 3.3314699346942723e-19 3.543485966924736e-19 3.735667052589696e-19 3.891831207819072e-19 4.0430927025888e-19 4.1809920443410566e-19 4.303093924612224e-19 4.410135344647872e-19 4.502709109797696e-19 4.584692487484032e-19 4.658729069131201e-19 4.713235117770817e-19 4.753866316874304e-19 4.782336995425921e-19 4.79907974111328e-19 4.807763538398017e-19 4.804975751077824e-19 4.795715170209601e-19 4.778587902133248e-19 4.751671334903808e-19 4.707371151338688e-19 4.652416493245248e-19 4.577450649158016e-19 4.475456085477888e-19 4.338486006165696e-19 4.1545881736302723e-19 3.906250797406272e-19 3.5671020503153284e-19 3.095821797307008e-19 2.424221401400064e-19 1.4323907599405826e-19 -1.1186381144659393e-20 -2.700773107916352e-19 -7.625303278438273e-19 ] } }