{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.12 5.709937 5.455797 5.27115 5.126041 5.006486 4.90482 4.816379 4.738116 4.667927 4.604301 4.546116 4.492513 4.442823 4.396514 4.353155 4.312392 4.273932 4.237528 4.202972 4.170085 4.138714 4.108724 4.08 4.050961 4.021036 3.99017 3.9583 3.925361 3.891277 3.855966 3.819337 3.781286 3.7417 3.70045 3.657388 3.612349 3.565142 3.515549 3.463314 3.408141 3.34968 3.287512 3.221137 3.149942 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.120000000000001e-10 5.709937000000001e-10 5.455797e-10 5.27115e-10 5.126041e-10 5.006486e-10 4.904820000000001e-10 4.816379000000001e-10 4.738116e-10 4.667927e-10 4.6043010000000006e-10 4.546116e-10 4.492513e-10 4.442823e-10 4.396514e-10 4.353155e-10 4.312392e-10 4.2739320000000005e-10 4.237528e-10 4.202972e-10 4.1700850000000003e-10 4.138714e-10 4.108724e-10 4.0800000000000004e-10 4.050961e-10 4.021036e-10 3.99017e-10 3.9583e-10 3.925361e-10 3.891277e-10 3.855966e-10 3.8193370000000004e-10 3.7812860000000004e-10 3.7417e-10 3.7004500000000004e-10 3.657388e-10 3.612349e-10 3.565142e-10 3.515549e-10 3.463314e-10 3.408141e-10 3.34968e-10 3.287512e-10 3.2211370000000003e-10 3.149942e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.741996 1.09346 1.39816 1.67496 1.92694 2.15563 2.36254 2.54939 2.71835 2.87158 3.01065 3.13669 3.25049 3.35262 3.44353 3.52358 3.59312 3.65244 3.70182 3.74155 3.77193 3.79327 3.80586 3.81 3.8055 3.7908 3.7638 3.72195 3.66205 3.58018 3.47147 3.32986 3.14776 2.91571 2.6219 2.25148 1.7855 1.19952 0.461673 -0.470219 -1.6525 -3.16139 -5.10171 -7.62009 -10.9261 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.188808653721464e-19 1.75191606221364e-19 2.24009928259344e-19 2.68358177488464e-19 3.08729824311996e-19 3.4537000175494195e-19 3.78520638489036e-19 4.084573088953259e-19 4.3552768530339e-19 4.60077837866172e-19 4.8235930831521e-19 5.02553142610146e-19 5.20785912705066e-19 5.371489426681079e-19 5.51714330447802e-19 5.64539754402972e-19 5.75681290715808e-19 5.851854025086959e-19 5.93096950727388e-19 5.9946239849427e-19 6.043298111083619e-19 6.077488560453179e-19 6.097659964275239e-19 6.10429297554e-19 6.097083180686999e-19 6.073531184167199e-19 6.030272415049199e-19 5.963221322916299e-19 5.867250942539699e-19 5.736080741514119e-19 5.56190811963198e-19 5.33502388649124e-19 5.0432675214398395e-19 4.671482433520139e-19 4.2007469166846e-19 3.60726864791832e-19 2.860686380007e-19 1.9218429160156797e-19 7.39681693148682e-20 -7.53373894662846e-20 -2.647596887685e-19 -5.065105188961259e-19 -8.173840555444139e-19 -1.220873014697706e-18 -1.75055421207474e-18 ] } }