{ "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" [ 1.6341560661511682e-19 2.315241347653248e-19 3.321840853203264e-19 3.8394240105527047e-19 4.27132276222176e-19 4.641858149314176e-19 4.963350910043904e-19 5.244340645799809e-19 5.490979714805761e-19 5.707962494560705e-19 5.898941947760064e-19 6.066834035853697e-19 6.214058045539009e-19 6.342552610527168e-19 6.454000016270017e-19 6.549842221726272e-19 6.631264837595329e-19 6.699373365745537e-19 6.755065025084544e-19 6.799172947455168e-19 6.8324341341029765e-19 6.855505477442497e-19 6.868963761057217e-19 6.873337703232001e-19 6.871222830092545e-19 6.86428540532448e-19 6.851435948825664e-19 6.831328632234624e-19 6.80220106126848e-19 6.761810188658113e-19 6.707175965888832e-19 6.634357038473472e-19 6.537922027667521e-19 6.410372746885632e-19 6.240942569236033e-19 6.013737902640384e-19 5.704437705994945e-19 5.273820695622528e-19 4.654835779942657e-19 3.7229938355191685e-19 2.2190787068728323e-19 -4.985765360968896e-20 ] } }