{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Pd" ] } "a" { "source-value" [ 3.80706 3.551973 3.39388 3.279017 3.188749 3.114378 3.051135 2.996119 2.947433 2.903771 2.864191 2.827996 2.794651 2.763741 2.734934 2.707961 2.682604 2.658679 2.636033 2.614537 2.594079 2.574564 2.555909 2.53804 2.519976 2.50136 2.482159 2.462334 2.441844 2.420641 2.398675 2.375889 2.352219 2.327594 2.301934 2.275146 2.247129 2.217763 2.186913 2.154419 2.120098 2.083731 2.045058 2.003768 1.95948 1.911725 1.859914 1.803292 1.740874 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.80706e-10 3.551973e-10 3.39388e-10 3.279017e-10 3.188749e-10 3.114378e-10 3.051135e-10 2.9961190000000005e-10 2.9474330000000003e-10 2.903771e-10 2.864191e-10 2.827996e-10 2.794651e-10 2.763741e-10 2.734934e-10 2.7079610000000003e-10 2.682604e-10 2.658679e-10 2.636033e-10 2.614537e-10 2.594079e-10 2.574564e-10 2.555909e-10 2.5380400000000003e-10 2.519976e-10 2.50136e-10 2.482159e-10 2.462334e-10 2.4418440000000004e-10 2.420641e-10 2.398675e-10 2.375889e-10 2.352219e-10 2.327594e-10 2.3019340000000003e-10 2.275146e-10 2.247129e-10 2.2177630000000002e-10 2.1869130000000002e-10 2.154419e-10 2.1200980000000001e-10 2.0837310000000003e-10 2.045058e-10 2.003768e-10 1.9594800000000001e-10 1.911725e-10 1.859914e-10 1.803292e-10 1.7408740000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.64231 1.01586 1.32297 1.58162 1.8071 2.00626 2.18408 2.34622 2.49215 2.62362 2.74201 2.84845 2.94386 3.02637 3.09705 3.15861 3.2115 3.25618 3.29355 3.32376 3.3468 3.36296 3.37248 3.37561 3.37221 3.36112 3.34081 3.30946 3.26483 3.20422 3.12412 3.01945 2.88832 2.72325 2.51577 2.25593 1.93115 1.5252 1.01708 0.379863 -0.42427 -1.44359 -2.74478 -4.42 -6.5991 -9.46885 -13.3045 -18.5246 -25.7894 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.02909407378454e-19 1.6275871554152399e-19 2.1196316214829798e-19 2.53403460786708e-19 2.8952933953013997e-19 3.21438289372884e-19 3.4992819427867196e-19 3.7590588622234803e-19 3.9928644984231e-19 4.203502660495079e-19 4.393184352194339e-19 4.5637200331173e-19 4.71658370576724e-19 4.84877929983858e-19 4.9620211443297e-19 5.060651137918739e-19 5.145390260090999e-19 5.21697551209812e-19 5.2768488529107e-19 5.32525060902384e-19 5.362164758671199e-19 5.38805593307664e-19 5.40330865463232e-19 5.408323467496739e-19 5.40287606694114e-19 5.38510792807008e-19 5.3525677206335395e-19 5.30233948315764e-19 5.230834339982219e-19 5.13372641419548e-19 5.00539206581208e-19 4.8376922375313e-19 4.62759881551488e-19 4.3631275185405e-19 4.0307079105181795e-19 3.61439833393962e-19 3.0940434067490995e-19 2.4436398021767998e-19 1.6295418109087198e-19 6.08607622721142e-20 -6.797554805071799e-20 -2.3128861670760596e-19 -4.397622381470519e-19 -7.08162072228e-19 -1.0572923825429399e-18 -1.5170770220850898e-18 -2.1316159027053e-18 -2.9679681274196397e-18 -4.13191740848796e-18 ] } }