{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.83364 5.442764 5.200514 5.024507 4.886187 4.772227 4.675318 4.591015 4.516413 4.449508 4.38886 4.333396 4.282302 4.234937 4.190795 4.149464 4.110608 4.073948 4.039247 4.006308 3.97496 3.945057 3.91647 3.88909 3.87045 3.850832 3.830129 3.808211 3.784929 3.760102 3.733508 3.704878 3.673874 3.640065 3.602895 3.561619 3.515217 3.462232 3.400483 3.326486 3.234148 3.11127 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.83364e-10 5.442764000000001e-10 5.200514e-10 5.024507e-10 4.886187e-10 4.772227000000001e-10 4.675318e-10 4.5910149999999996e-10 4.516413e-10 4.449508e-10 4.3888600000000004e-10 4.3333959999999995e-10 4.282302e-10 4.2349370000000004e-10 4.1907949999999996e-10 4.1494640000000004e-10 4.110608e-10 4.073948e-10 4.039247e-10 4.006308e-10 3.97496e-10 3.945057e-10 3.91647e-10 3.88909e-10 3.8704500000000003e-10 3.850832e-10 3.830129e-10 3.808211e-10 3.784929e-10 3.760102e-10 3.733508e-10 3.704878e-10 3.673874e-10 3.640065e-10 3.6028950000000005e-10 3.561619e-10 3.515217e-10 3.4622320000000006e-10 3.400483e-10 3.326486e-10 3.234148e-10 3.11127e-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" [ 0.923577 1.32425 1.64589 1.92032 2.16118 2.37587 2.56893 2.74338 2.90139 3.04457 3.17416 3.29114 3.3963 3.49031 3.57373 3.64704 3.71064 3.7649 3.81014 3.84664 3.87465 3.89441 3.90613 3.91 3.9081 3.9018 3.88999 3.87128 3.84381 3.80516 3.75206 3.68006 3.58297 3.45191 3.27388 3.02913 2.68639 2.19355 1.45783 0.29882 -1.68044 -5.53421 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4797334890998178e-19 2.1216824075744998e-19 2.63700650013426e-19 3.0766918338028797e-19 3.4625920978681194e-19 3.8065633994215797e-19 4.1158796203816196e-19 4.39537933418292e-19 4.6485392641212595e-19 4.87793891457738e-19 5.08556498457744e-19 5.272987607222759e-19 5.4414725020542e-19 5.59209312741654e-19 5.72574670222482e-19 5.843202271263359e-19 5.94510070518576e-19 6.032034809346599e-19 6.10451728026876e-19 6.162996727409759e-19 6.2078736949281e-19 6.23953270521594e-19 6.258310215366419e-19 6.264510638939999e-19 6.2614665033354e-19 6.2513727905412e-19 6.23245108449366e-19 6.20247435967152e-19 6.158462567535539e-19 6.0965384406314395e-19 6.01146286136604e-19 5.89610614371804e-19 5.74055081432298e-19 5.530569544670939e-19 5.24533403851992e-19 4.853201307348419e-19 4.3040712878112595e-19 3.5144545555107e-19 2.3357011623442197e-19 4.7876242177187995e-20 -2.69236170283896e-19 -8.86678194964914e-19 ] } }