{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Hg" "Hg" ] } "a" { "source-value" [ 4.35872 4.066669 3.885667 3.75416 3.650811 3.565664 3.493256 3.430267 3.374527 3.324538 3.279223 3.237783 3.199606 3.164217 3.131235 3.100354 3.071322 3.04393 3.018003 2.993392 2.96997 2.947627 2.926268 2.90581 2.891883 2.877225 2.861756 2.84538 2.827985 2.809434 2.789565 2.768173 2.745008 2.719747 2.691975 2.661135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3587200000000003e-10 4.0666690000000005e-10 3.885667e-10 3.7541600000000005e-10 3.6508110000000003e-10 3.5656640000000003e-10 3.493256e-10 3.4302670000000004e-10 3.3745270000000004e-10 3.324538e-10 3.279223e-10 3.237783e-10 3.1996060000000004e-10 3.164217e-10 3.1312350000000003e-10 3.100354e-10 3.071322e-10 3.04393e-10 3.018003e-10 2.9933920000000003e-10 2.9699700000000003e-10 2.9476270000000006e-10 2.926268e-10 2.90581e-10 2.891883e-10 2.8772250000000004e-10 2.8617560000000003e-10 2.84538e-10 2.827985e-10 2.809434e-10 2.789565e-10 2.768173e-10 2.745008e-10 2.719747e-10 2.691975e-10 2.661135e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0585419 0.0876181 0.113233 0.13669 0.158497 0.178967 0.198223 0.216326 0.233333 0.249279 0.264204 0.278093 0.290947 0.302793 0.313633 0.323445 0.332178 0.339814 0.346334 0.351717 0.355945 0.35901 0.360868 0.361493 0.361178 0.360119 0.358113 0.354879 0.350043 0.343094 0.333315 0.319702 0.300809 0.274482 0.23743 0.184376 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.379446351721152e-21 1.403796713789165e-20 1.8141926530304642e-20 2.1900152229715203e-20 2.539401878669376e-20 2.867367432947136e-20 3.1758825630483843e-20 3.465924596711808e-20 3.738406774611264e-20 3.993889858564032e-20 4.233014719218432e-20 4.4555410300813437e-20 4.6614848129189763e-20 4.8512786554189437e-20 5.024954601113664e-20 5.18216017114656e-20 5.322078255441024e-20 5.444420462205312e-20 5.548882377881472e-20 5.635127545379136e-20 5.70286757290656e-20 5.75197428633408e-20 5.781742727948545e-20 5.791756331828545e-20 5.786709475473025e-20 5.769742425058753e-20 5.737602762045505e-20 5.685788370128832e-20 5.608307108746944e-20 5.496971855367553e-20 5.34029500361952e-20 5.122190700230016e-20 4.819491471262272e-20 4.3976864323042565e-20 3.80404795076544e-20 2.954029166366208e-20 ] } }