{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 12.8135 11.954954 11.422861 11.036267 10.732451 10.482141 10.269283 10.084115 9.920254 9.7733 9.640087 9.518265 9.406037 9.302002 9.205044 9.114263 9.028918 8.948394 8.872176 8.799826 8.730971 8.665289 8.6025 8.54236 8.501418 8.458328 8.412852 8.364711 8.313573 8.259039 8.200626 8.137741 8.069641 7.995381 7.913737 7.823075 7.721153 7.604773 7.469143 7.306609 7.103789 6.83389 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.28135e-09 1.1954954e-09 1.1422861e-09 1.1036267e-09 1.0732450999999999e-09 1.0482141000000001e-09 1.0269283e-09 1.0084115e-09 9.920254000000001e-10 9.773300000000002e-10 9.640087e-10 9.518265e-10 9.406037e-10 9.302002e-10 9.205043999999999e-10 9.114263e-10 9.028918000000001e-10 8.948394000000001e-10 8.872176e-10 8.799826e-10 8.730971e-10 8.665289e-10 8.602499999999999e-10 8.542360000000001e-10 8.501418e-10 8.458328e-10 8.412852000000001e-10 8.364711e-10 8.313573e-10 8.259039e-10 8.200626e-10 8.137741e-10 8.069641000000001e-10 7.995381e-10 7.913737000000001e-10 7.823075000000001e-10 7.721153000000001e-10 7.604773e-10 7.469143e-10 7.306609e-10 7.103789e-10 6.83389e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.132657 0.227595 0.307483 0.376913 0.438071 0.492334 0.540682 0.583859 0.622451 0.656932 0.687694 0.715063 0.739317 0.760695 0.779404 0.795622 0.809509 0.821206 0.830836 0.838513 0.844336 0.848398 0.85078 0.851558 0.85118 0.849934 0.84762 0.843982 0.838691 0.831319 0.8213 0.807871 0.789986 0.766177 0.734326 0.691278 0.632144 0.548966 0.427943 0.243052 -0.0609199 -0.62406 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1253994573653798e-20 3.6464739101522995e-20 4.92642077952222e-20 6.03881201650842e-20 7.018671202330139e-20 7.888060309237559e-20 8.662680668243879e-20 9.35445247350606e-20 9.972764480099339e-20 1.0525211005268879e-19 1.101807258141996e-19 1.145657230437942e-19 1.1845164225189779e-19 1.21876775460063e-19 1.248742877246136e-19 1.274726977896348e-19 1.2969764048127059e-19 1.315717064900604e-19 1.331146025886024e-19 1.3434459359052419e-19 1.352775410445024e-19 1.359283451932332e-19 1.36309983667452e-19 1.364346330095772e-19 1.36374070732812e-19 1.361744395242156e-19 1.35803695851108e-19 1.3522082399165878e-19 1.3437311233460937e-19 1.3319198772002459e-19 1.3158676695042e-19 1.294352039486214e-19 1.265697110387124e-19 1.227550886908218e-19 1.176519958938684e-19 1.1075494591982518e-19 1.012806346123296e-19 8.795404980604439e-20 6.85640275283862e-20 3.8941223524696793e-20 -9.760444032561659e-21 -9.998543502140399e-20 ] } }