{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.42585 7.861286 7.511392 7.257176 7.057392 6.892793 6.752822 6.631059 6.523307 6.426673 6.339075 6.258966 6.185167 6.116756 6.052999 5.993302 5.937181 5.88423 5.83411 5.786535 5.741257 5.698066 5.656777 5.61723 5.57725 5.53605 5.493554 5.449678 5.404328 5.357402 5.308787 5.258356 5.20597 5.151469 5.094676 5.035391 4.973382 4.90839 4.840111 4.768196 4.692235 4.611747 4.526157 4.434773 4.336755 4.231063 4.116393 3.991077 3.852933 3.699034 3.525316 3.325911 3.09188 2.80862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.42585e-10 7.861286e-10 7.511392e-10 7.257176e-10 7.057392e-10 6.892793e-10 6.752822e-10 6.631058999999999e-10 6.523307e-10 6.426673e-10 6.339075000000001e-10 6.258966e-10 6.185167e-10 6.116755999999999e-10 6.052999e-10 5.993302e-10 5.937181e-10 5.884229999999999e-10 5.83411e-10 5.786535e-10 5.741257e-10 5.698066e-10 5.656777e-10 5.61723e-10 5.577250000000001e-10 5.536050000000001e-10 5.493553999999999e-10 5.449678e-10 5.404328e-10 5.357402e-10 5.308787e-10 5.258356000000001e-10 5.20597e-10 5.151469e-10 5.094676e-10 5.035391e-10 4.973382e-10 4.90839e-10 4.840111e-10 4.768196e-10 4.692235e-10 4.611747e-10 4.5261570000000006e-10 4.434773e-10 4.336755e-10 4.231063e-10 4.1163930000000007e-10 3.991077e-10 3.8529330000000004e-10 3.6990340000000003e-10 3.525316e-10 3.3259110000000003e-10 3.0918800000000003e-10 2.80862e-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" [ 0.762517 0.815047 0.843055 0.859385 0.86881 0.873661 0.895937 0.982262 0.992249 0.992466 0.991282 0.98894 0.985622 0.981473 0.976606 0.971116 0.965076 0.958551 0.951593 0.944654 1.01571 1.08223 1.11018 1.11618 1.11312 1.10737 1.10076 1.09326 1.08475 1.07511 1.06417 1.05176 1.03765 1.0216 1.00329 0.982352 0.958332 0.930672 0.898673 0.861863 0.819483 0.768416 0.707494 0.634276 0.545187 0.43516 0.296814 0.119028 -0.11557 -0.435195 -0.887596 -1.55696 -2.59856 -4.31926 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2216869204277778e-19 1.3058492590117978e-19 1.35072302217687e-19 1.3768865666100898e-19 1.39198708138554e-19 1.399759240237074e-19 1.435449326936058e-19 1.5737572248661078e-19 1.589758162909866e-19 1.5901058352394438e-19 1.588208858104788e-19 1.58445656042796e-19 1.5791405383563478e-19 1.572493107501882e-19 1.5646953138242039e-19 1.5558993641035438e-19 1.5462222172341839e-19 1.535768014697334e-19 1.5246200696779618e-19 1.513502566014636e-19 1.6273468289201397e-19 1.7339236186138199e-19 1.7787044555341198e-19 1.7883175153381197e-19 1.78341485483808e-19 1.7742023391925798e-19 1.7636119516418398e-19 1.7515956268868397e-19 1.7379611037315002e-19 1.7225161209797398e-19 1.70498830860378e-19 1.68510529657584e-19 1.6624985842700998e-19 1.6367836492944e-19 1.60744779512586e-19 1.573901420763168e-19 1.5354171380144879e-19 1.491100932318048e-19 1.439832882206682e-19 1.380856760309142e-19 1.3129565145602218e-19 1.231138160391744e-19 1.1335303554951957e-19 1.0162221867069839e-19 8.734858725605579e-20 6.972031840514399e-20 4.75548455444076e-20 1.9070388039175198e-20 -1.8516355359138e-20 -6.972592602336299e-20 -1.422085571631864e-19 -2.49452493207264e-19 -4.1633521140470397e-19 -6.920217448170839e-19 ] } }