{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.11064 7.567196 7.230392 6.985685 6.793376 6.634934 6.500199 6.382991 6.279271 6.186252 6.10193 6.024819 5.953781 5.887929 5.826557 5.769094 5.715072 5.664102 5.615857 5.570061 5.526477 5.484902 5.445158 5.40709 5.381175 5.3539 5.325115 5.294643 5.262273 5.227755 5.190781 5.150976 5.10787 5.060866 5.009187 4.9518 4.887286 4.81362 4.72777 4.62489 4.49651 4.32567 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.11064e-10 7.567196e-10 7.230392000000001e-10 6.985685e-10 6.793376e-10 6.634934000000001e-10 6.500199000000001e-10 6.382991e-10 6.279271e-10 6.186252e-10 6.101930000000001e-10 6.024819000000001e-10 5.953781000000001e-10 5.887929e-10 5.826557e-10 5.769094e-10 5.715072000000001e-10 5.664102e-10 5.615857e-10 5.570061e-10 5.526477e-10 5.484902e-10 5.445158e-10 5.407090000000001e-10 5.381175e-10 5.3539e-10 5.325115e-10 5.294643e-10 5.262273e-10 5.227755e-10 5.190781e-10 5.150976e-10 5.10787e-10 5.060866e-10 5.009187e-10 4.9518e-10 4.887286e-10 4.81362e-10 4.72777e-10 4.62489e-10 4.49651e-10 4.3256699999999996e-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" [ 0.0768622 0.363757 0.590404 0.751707 0.870291 0.960513 1.03098 1.08725 1.13316 1.17142 1.20393 1.23205 1.25673 1.2786 1.29807 1.3154 1.33072 1.3441 1.35553 1.365 1.37245 1.37784 1.3811 1.3822 1.38165 1.3798 1.3763 1.37067 1.36233 1.35052 1.33714 1.32322 1.30789 1.28968 1.26618 1.23317 1.18336 1.10418 0.974886 0.763623 0.427469 -0.0837942 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2314681986325377e-20 5.828029610523457e-20 9.459314856268033e-20 1.2043673810917057e-19 1.394359893492653e-19 1.5389114725744705e-19 1.651812052512384e-19 1.7419665309648002e-19 1.815522459625728e-19 1.876821737137536e-19 1.928908499079744e-19 1.9739617056566403e-19 2.013503424657984e-19 2.04854302735488e-19 2.079737406161856e-19 2.10750312700032e-19 2.132048472830976e-19 2.1534855960172802e-19 2.171798474793024e-19 2.186971087392e-19 2.1989073032169603e-19 2.207543035203072e-19 2.21276613098688e-19 2.21452852526976e-19 2.2136473281283203e-19 2.21068330137984e-19 2.2050756832070405e-19 2.196055428831936e-19 2.1826932758144643e-19 2.163771569922816e-19 2.1423344467365121e-19 2.1200321481749762e-19 2.0954707805781122e-19 2.0662951443133441e-19 2.0286439937245442e-19 1.9757561434719363e-19 1.895951725989888e-19 1.769091381154944e-19 1.561939557145229e-19 1.2234589177051586e-19 6.848808379167553e-20 -1.3425310819863936e-20 ] } }