{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.2765 3.989959 3.812372 3.683346 3.581946 3.498405 3.427363 3.365563 3.310875 3.261828 3.217368 3.17671 3.139253 3.104532 3.072172 3.041874 3.013389 2.986514 2.961076 2.93693 2.913949 2.892028 2.871072 2.851 2.837336 2.822954 2.807777 2.79171 2.774642 2.756442 2.736947 2.715959 2.69323 2.668446 2.641198 2.610939 2.576923 2.538081 2.492815 2.43857 2.370879 2.2808 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2765000000000007e-10 3.989959e-10 3.812372e-10 3.683346e-10 3.581946e-10 3.498405e-10 3.427363e-10 3.365563e-10 3.3108749999999997e-10 3.261828e-10 3.2173680000000003e-10 3.17671e-10 3.139253e-10 3.104532e-10 3.0721720000000004e-10 3.041874e-10 3.0133890000000003e-10 2.9865140000000003e-10 2.961076e-10 2.9369299999999997e-10 2.913949e-10 2.892028e-10 2.871072e-10 2.8510000000000003e-10 2.837336e-10 2.8229540000000003e-10 2.8077770000000003e-10 2.7917100000000004e-10 2.7746420000000004e-10 2.756442e-10 2.736947e-10 2.715959e-10 2.69323e-10 2.668446e-10 2.641198e-10 2.6109390000000003e-10 2.576923e-10 2.538081e-10 2.492815e-10 2.43857e-10 2.370879e-10 2.2808000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.01996 1.44506 2.07333 2.39638 2.66595 2.89722 3.09788 3.27326 3.4272 3.56263 3.68183 3.78662 3.87851 3.95871 4.02827 4.08809 4.13891 4.18142 4.21618 4.24371 4.26447 4.27887 4.28727 4.29 4.28868 4.28435 4.27633 4.26378 4.2456 4.22039 4.18629 4.14084 4.08065 4.00104 3.89529 3.75348 3.56043 3.29166 2.90532 2.32371 1.38504 -0.311187 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6341560796146398e-19 2.31524136672804e-19 3.32184088057122e-19 3.83942404218492e-19 4.2713227974122996e-19 4.64185818755748e-19 4.96335095093592e-19 5.244340689006839e-19 5.4909797600448e-19 5.70796254158742e-19 5.89894199636022e-19 6.066834085837079e-19 6.21405809673534e-19 6.34255266278214e-19 6.454000069443179e-19 6.5498422756890595e-19 6.63126489222894e-19 6.69937342094028e-19 6.755065080738119e-19 6.79917300347214e-19 6.83243419039398e-19 6.85550553392358e-19 6.86896381764918e-19 6.87333775986e-19 6.87122288670312e-19 6.864285461877899e-19 6.851436005273219e-19 6.831328688516519e-19 6.802201117310399e-19 6.76181024436726e-19 6.707176021147859e-19 6.63435709313256e-19 6.5379220815321e-19 6.410372799699359e-19 6.24094262065386e-19 6.01373795218632e-19 5.70443775299262e-19 5.273820739072439e-19 4.65483581829288e-19 3.72299386619214e-19 2.21907872515536e-19 -4.9857654020455794e-20 ] } }