{ "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" [ 5.81811 5.428275 5.186671 5.011133 4.873181 4.759524 4.662873 4.578795 4.504392 4.437665 4.377178 4.321863 4.270904 4.223666 4.179641 4.13842 4.099668 4.063105 4.028497 3.995646 3.964382 3.934558 3.906047 3.87874 3.86015 3.840584 3.819935 3.798076 3.774857 3.750095 3.723572 3.695018 3.664096 3.630378 3.593306 3.55214 3.505862 3.453018 3.391434 3.317634 3.225541 3.10299 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.81811e-10 5.428275e-10 5.186670999999999e-10 5.011133000000001e-10 4.873181e-10 4.759524e-10 4.662873e-10 4.5787950000000007e-10 4.5043920000000005e-10 4.4376650000000003e-10 4.377178e-10 4.321863e-10 4.270904e-10 4.2236659999999996e-10 4.1796410000000004e-10 4.13842e-10 4.0996680000000005e-10 4.063105e-10 4.028497e-10 3.995646e-10 3.964382e-10 3.934558e-10 3.906047e-10 3.87874e-10 3.8601500000000004e-10 3.840584e-10 3.819935e-10 3.798076e-10 3.774857e-10 3.7500950000000003e-10 3.723572e-10 3.695018e-10 3.664096e-10 3.630378e-10 3.593306e-10 3.5521400000000004e-10 3.505862e-10 3.4530180000000004e-10 3.391434e-10 3.317634e-10 3.2255410000000005e-10 3.1029900000000005e-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" [ 0.728144 1.14822 1.50082 1.80436 2.07092 2.30731 2.51815 2.7068 2.87587 3.02772 3.16454 3.2868 3.39507 3.4906 3.57439 3.64723 3.70976 3.76256 3.80614 3.84095 3.86741 3.88588 3.89673 3.90027 3.89855 3.89289 3.88238 3.86584 3.84169 3.80788 3.7617 3.6996 3.61667 3.50603 3.35769 3.15678 2.88022 2.4905 1.92323 1.05472 -0.377281 -3.03274 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1666152933757954e-19 1.8396512395349762e-19 2.404578716029056e-19 2.890903407506688e-19 3.3179796075471366e-19 3.6967181389380488e-19 4.03452105766752e-19 4.33677167718144e-19 4.607651678460097e-19 4.850942198328576e-19 5.070152003586432e-19 5.266034117245441e-19 5.439501779979456e-19 5.592557712564481e-19 5.726804091621313e-19 5.843506636680384e-19 5.943690740779009e-19 6.028285666357248e-19 6.0981085234917125e-19 6.15388029166176e-19 6.196273885048129e-19 6.225866087234304e-19 6.243249703569984e-19 6.248921408807616e-19 6.24616566501984e-19 6.237097345346112e-19 6.220258469061504e-19 6.193758467753472e-19 6.155065902361152e-19 6.100896310811904e-19 6.02690779446336e-19 5.92741262631168e-19 5.794544119148737e-19 5.617279297823425e-19 5.379612417893952e-19 5.057719113009024e-19 4.614621146760576e-19 3.9902208741024e-19 3.081354142421184e-19 1.6898477254901763e-19 -6.044707976720448e-20 -4.858985124964992e-19 ] } }