{ "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" [ 1.06384 1.48962 2.11805 2.43853 2.70489 2.93267 3.12978 3.30164 3.45218 3.58439 3.70056 3.80254 3.89184 3.96968 4.03712 4.09504 4.14421 4.18528 4.21885 4.24541 4.26542 4.27929 4.28737 4.29 4.28873 4.28458 4.277 4.26514 4.24794 4.22401 4.19156 4.14823 4.0908 4.01484 3.914 3.77888 3.59511 3.33954 2.97266 2.42121 1.53298 -0.0679501 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7044595762718719e-19 2.386634337876096e-19 3.3934901916854405e-19 3.9069557551194244e-19 4.333711519835712e-19 4.698655310521536e-19 5.014460344247424e-19 5.289810418298112e-19 5.531002086793344e-19 5.742825857829312e-19 5.928950715867648e-19 6.092340687656832e-19 6.235415059894272e-19 6.360128488057344e-19 6.468179279364096e-19 6.560977349240832e-19 6.639756373685568e-19 6.705557767501823e-19 6.75934283666208e-19 6.801896647710528e-19 6.833956201892736e-19 6.856178391623232e-19 6.869123978719297e-19 6.873337703232001e-19 6.871302938923584e-19 6.864653905947264e-19 6.852509407161601e-19 6.833507592438912e-19 6.805950154561152e-19 6.767610068025409e-19 6.715619436680448e-19 6.646197123701184e-19 6.55418412036864e-19 6.432482784252673e-19 6.2709192938112e-19 6.054433188808704e-19 5.760001191204288e-19 5.350532912226432e-19 4.762726353587328e-19 3.879206056047168e-19 2.4561047161539844e-19 -1.0886806160102208e-20 ] } }