{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.325 4.968205 4.747078 4.586418 4.460158 4.356134 4.267675 4.190722 4.122625 4.061554 4.006193 3.955566 3.908927 3.865692 3.825398 3.787671 3.752204 3.718739 3.687065 3.656998 3.628383 3.601087 3.574993 3.55 3.532985 3.515078 3.49618 3.476173 3.454921 3.432258 3.407984 3.38185 3.353549 3.322688 3.288759 3.251082 3.208726 3.160361 3.103996 3.036451 2.952164 2.84 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.325000000000001e-10 4.968205e-10 4.747078e-10 4.5864180000000004e-10 4.460158e-10 4.356134e-10 4.267675e-10 4.190722e-10 4.1226250000000005e-10 4.061554e-10 4.006193e-10 3.9555660000000003e-10 3.908927e-10 3.8656920000000004e-10 3.825398e-10 3.7876710000000003e-10 3.752204e-10 3.718739e-10 3.6870650000000003e-10 3.6569980000000003e-10 3.628383e-10 3.601087e-10 3.5749930000000004e-10 3.55e-10 3.532985e-10 3.515078e-10 3.49618e-10 3.4761730000000005e-10 3.454921e-10 3.432258e-10 3.407984e-10 3.38185e-10 3.3535490000000005e-10 3.322688e-10 3.2887590000000004e-10 3.2510819999999997e-10 3.208726e-10 3.160361e-10 3.103996e-10 3.036451e-10 2.952164e-10 2.84e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.354397 0.510525 0.64248 0.755405 0.853138 0.938517 1.01364 1.08006 1.13896 1.19126 1.23767 1.27879 1.3151 1.347 1.37483 1.3989 1.41946 1.43674 1.45094 1.46224 1.4708 1.47676 1.48024 1.48138 1.48083 1.47901 1.47564 1.47035 1.46266 1.45196 1.43744 1.41801 1.39218 1.35786 1.31206 1.25032 1.16576 1.04724 0.875535 0.614626 0.188671 -0.593943 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.67806592559698e-20 8.1795122607285e-20 1.02936644381232e-19 1.2102922402067698e-19 1.3668777691774918e-19 1.503670008011778e-19 1.6240303232877601e-19 1.73044689531804e-19 1.8248150990606397e-19 1.9086089370188398e-19 1.98296595460278e-19 2.04884745779286e-19 2.1070224913733999e-19 2.1581319259979998e-19 2.20272050172222e-19 2.2412848933025997e-19 2.27422564489764e-19 2.3019112571331595e-19 2.3246621653359595e-19 2.34276676130016e-19 2.3564813932872e-19 2.36603036602584e-19 2.37160594071216e-19 2.3734324220749197e-19 2.37255122492622e-19 2.36963526345234e-19 2.36423592819576e-19 2.3557604138019e-19 2.34343967548644e-19 2.3262963855026396e-19 2.30303278077696e-19 2.2719024887783398e-19 2.23051826632212e-19 2.17553156424324e-19 2.1021518744060398e-19 2.00323348902288e-19 1.8677534328518397e-19 1.6778634581901598e-19 1.40276171924919e-19 9.847394158488839e-20 3.02284267713414e-20 -9.516015965278619e-20 ] } }