{ "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" [ 4.28232 3.995389 3.81756 3.688358 3.586821 3.503166 3.432028 3.370143 3.31538 3.266267 3.221747 3.181033 3.143526 3.108757 3.076353 3.046013 3.01749 2.990579 2.965106 2.940927 2.917915 2.895964 2.874979 2.85488 2.841197 2.826796 2.811598 2.795509 2.778418 2.760193 2.740671 2.719654 2.696895 2.672077 2.644791 2.614491 2.580428 2.541533 2.496205 2.441885 2.374102 2.2839 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2823200000000005e-10 3.995389e-10 3.81756e-10 3.688358e-10 3.586821e-10 3.503166e-10 3.432028e-10 3.3701430000000003e-10 3.31538e-10 3.266267e-10 3.2217470000000004e-10 3.1810330000000004e-10 3.143526e-10 3.1087570000000004e-10 3.0763530000000004e-10 3.046013e-10 3.01749e-10 2.990579e-10 2.9651060000000003e-10 2.940927e-10 2.917915e-10 2.8959640000000005e-10 2.8749790000000004e-10 2.85488e-10 2.841197e-10 2.826796e-10 2.8115980000000003e-10 2.795509e-10 2.778418e-10 2.7601930000000003e-10 2.7406709999999997e-10 2.7196539999999997e-10 2.696895e-10 2.672077e-10 2.644791e-10 2.6144910000000004e-10 2.580428e-10 2.541533e-10 2.4962049999999997e-10 2.441885e-10 2.374102e-10 2.2839000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.675307 1.19754 1.63073 2.01385 2.32298 2.56747 2.76112 2.91896 3.05451 3.1758 3.28547 3.38379 3.4709 3.54726 3.61361 3.67093 3.72012 3.76199 3.797 3.82534 3.84708 3.86229 3.87114 3.87398 3.87263 3.86824 3.86024 3.84795 3.8305 3.80676 3.77529 3.73421 3.68106 3.61251 3.52405 3.40661 3.24207 3.00011 2.62881 2.05448 1.12957 -0.787972 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0819610961766379e-19 1.91867060628036e-19 2.6127175023628197e-19 3.2265434143809e-19 3.7218242772493196e-19 4.11354044249598e-19 4.423801947670079e-19 4.67668950758064e-19 4.89386455031934e-19 5.0881925542572e-19 5.26390326570798e-19 5.421429272362859e-19 5.560994878950599e-19 5.68333708672284e-19 5.78964150638874e-19 5.88147827104962e-19 5.96028933967608e-19 6.027372475341659e-19 6.083464679297999e-19 6.12887036510556e-19 6.16370168512872e-19 6.188070791731859e-19 6.20225005494276e-19 6.20680023658332e-19 6.204637298127419e-19 6.19760374270416e-19 6.18478632963216e-19 6.1650955788002995e-19 6.1371375965369995e-19 6.09910192324584e-19 6.048681424573859e-19 5.98286400844914e-19 5.89770832035204e-19 5.78787911209134e-19 5.646150567047699e-19 5.45799094315074e-19 5.1943687997923795e-19 4.80670614142974e-19 4.2118179572255397e-19 3.2916398510203194e-19 1.8097706604673798e-19 -1.262470326646248e-19 ] } }