{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.21016 7.660049 7.319112 7.071403 6.876734 6.716349 6.579961 6.461315 6.356322 6.262161 6.176805 6.098748 6.026838 5.960178 5.898053 5.839885 5.7852 5.733605 5.684768 5.638411 5.594292 5.552206 5.511975 5.47344 5.434483 5.394338 5.35293 5.310176 5.265987 5.220262 5.172892 5.123752 5.072707 5.019601 4.964262 4.906493 4.846072 4.782743 4.716212 4.646138 4.572122 4.493694 4.410294 4.321249 4.22574 4.122754 4.011019 3.888911 3.754303 3.604343 3.435071 3.24077 3.01273 2.73672 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.210160000000001e-10 7.660049000000001e-10 7.319112e-10 7.071403e-10 6.876734e-10 6.716349e-10 6.579961e-10 6.461315e-10 6.356322e-10 6.262161e-10 6.176805e-10 6.098748e-10 6.026838e-10 5.960178e-10 5.898053e-10 5.839885e-10 5.7852e-10 5.733605e-10 5.684768e-10 5.638411e-10 5.594292000000001e-10 5.552206000000001e-10 5.511974999999999e-10 5.47344e-10 5.434483e-10 5.394338e-10 5.352929999999999e-10 5.310176000000001e-10 5.265987e-10 5.220262e-10 5.172892e-10 5.123752e-10 5.072707000000001e-10 5.019601e-10 4.964262e-10 4.906493e-10 4.846072000000001e-10 4.782743e-10 4.716211999999999e-10 4.646138e-10 4.5721220000000005e-10 4.493694e-10 4.4102940000000004e-10 4.321249e-10 4.22574e-10 4.122754e-10 4.0110190000000003e-10 3.888911e-10 3.754303e-10 3.6043430000000004e-10 3.4350710000000004e-10 3.24077e-10 3.01273e-10 2.73672e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.16686 1.34396 1.48537 1.60382 1.70551 1.79409 1.87196 1.94082 2.00195 2.05631 2.1047 2.14773 2.18595 2.21978 2.24962 2.27578 2.29854 2.31816 2.33485 2.3487 2.3596 2.36749 2.37227 2.37388 2.37207 2.37081 2.36408 2.34725 2.32167 2.28564 2.23648 2.17077 2.08417 1.97105 1.82416 1.63404 1.38859 1.07221 0.66421 0.13687 -0.547506 -1.44089 -2.61643 -4.17922 -6.28313 -9.15992 -13.166 -18.8574 -27.1149 -39.3392 -57.703 -85.2682 -124.915 -173.349 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8695158271492398e-19 2.15326130903064e-19 2.37982510684458e-19 2.56960292914188e-19 2.73252827105334e-19 2.8744490772930596e-19 2.99921057178264e-19 3.1095364547998796e-19 3.2074775124362997e-19 3.2945718342605397e-19 3.3721011615797993e-19 3.44104282214082e-19 3.5022780130923e-19 3.55647964862052e-19 3.60428859937908e-19 3.64620154012452e-19 3.6826670803143596e-19 3.71410178587344e-19 3.7408421138948994e-19 3.7630322602758e-19 3.7804959855863997e-19 3.7931371592286597e-19 3.8007955635391797e-19 3.80337506791992e-19 3.8004751282123796e-19 3.7984563856535397e-19 3.78767373690672e-19 3.7607091041564994e-19 3.71972542585878e-19 3.6619990017357597e-19 3.583235998408319e-19 3.4779569717881797e-19 3.3392084752837795e-19 3.1579702544457e-19 2.92262652867744e-19 2.61802070702136e-19 2.2247664522060597e-19 1.71786980874114e-19 1.0641817420691398e-19 2.1928991589557996e-20 -8.77201320174804e-20 -2.30856029016426e-19 -4.1919830104966196e-19 -6.695848632345479e-19 -1.006668407438442e-18 -1.4675809793309278e-18 -2.1094257563244e-18 -3.0212885657991594e-18 -4.344285921324659e-18 -6.302834704025279e-18 -9.2450398311702e-18 -1.3661471766323878e-17 -2.0013589423611e-17 -2.77735717327266e-17 ] } }