{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.75864 6.305786 6.025125 5.82121 5.660958 5.528928 5.416653 5.318983 5.232552 5.155039 5.084774 5.020516 4.96132 4.906445 4.855303 4.807419 4.762402 4.719929 4.679726 4.641565 4.605246 4.570601 4.537482 4.50576 4.484165 4.461436 4.43745 4.412057 4.385084 4.356319 4.325509 4.29234 4.256419 4.21725 4.174186 4.126366 4.072606 4.01122 3.939681 3.853951 3.746971 3.60461 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.75864e-10 6.305786000000001e-10 6.025125e-10 5.82121e-10 5.660958e-10 5.528928e-10 5.416653e-10 5.318983000000001e-10 5.232552e-10 5.155039e-10 5.084774000000001e-10 5.020516e-10 4.96132e-10 4.906445e-10 4.855303000000001e-10 4.807419e-10 4.762402e-10 4.719928999999999e-10 4.679726e-10 4.641565e-10 4.6052460000000005e-10 4.570601e-10 4.537482e-10 4.505760000000001e-10 4.484165e-10 4.4614360000000003e-10 4.4374500000000005e-10 4.412057e-10 4.3850840000000003e-10 4.356319e-10 4.3255090000000005e-10 4.2923400000000006e-10 4.2564190000000003e-10 4.21725e-10 4.174186e-10 4.1263660000000004e-10 4.0726060000000003e-10 4.0112199999999997e-10 3.9396810000000005e-10 3.853951e-10 3.746971e-10 3.60461e-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" [ 0.434544 0.637633 0.74552 0.828139 0.907021 0.98179 1.05314 1.13491 1.19555 1.24477 1.2863 1.32145 1.35147 1.37731 1.39957 1.41862 1.43469 1.44806 1.46129 1.47391 1.48364 1.49024 1.49397 1.49514 1.49462 1.49294 1.4899 1.4851 1.47796 1.46768 1.45321 1.43307 1.40525 1.36684 1.31433 1.24594 1.16107 1.05129 0.901921 0.678812 0.307987 -0.407853 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.962162375089153e-20 1.0216006852505665e-19 1.194454714338816e-19 1.3268249445726912e-19 1.4532078407746367e-19 1.5730009845352323e-19 1.6873162864293121e-19 1.8183262687121283e-19 1.91548225899744e-19 1.994341392273216e-19 2.0608797873350401e-19 2.1171962955561602e-19 2.165293637712576e-19 2.2066938815940484e-19 2.2423583331730563e-19 2.272879797799296e-19 2.2986267760955523e-19 2.320047877515648e-19 2.341244674208832e-19 2.361464143163328e-19 2.377053321683712e-19 2.387627687380992e-19 2.393603806176576e-19 2.395478352822912e-19 2.3946452209800964e-19 2.391953564257152e-19 2.3870829473299203e-19 2.37939249955008e-19 2.367952958477568e-19 2.3514825828157444e-19 2.328299087112768e-19 2.296031249969856e-19 2.2514586963792003e-19 2.1899190923742723e-19 2.105788798016064e-19 1.9962159389195523e-19 1.8602392091122562e-19 1.6843522596808323e-19 1.445036740008557e-19 1.0875767163184897e-19 4.934495709103297e-20 -6.534525413231425e-20 ] } }