{ "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" [ 2.125399439854656e-20 3.64647388010976e-20 4.9264207389344644e-20 6.038811966755904e-20 7.018671144504768e-20 7.888060244249472e-20 8.662680596873857e-20 9.354452396436673e-20 9.972764397935808e-20 1.0525210918553856e-19 1.1018072490644352e-19 1.1456572209991106e-19 1.1845164127599937e-19 1.218767744559456e-19 1.2487428669580034e-19 1.2747269673941377e-19 1.2969763941271874e-19 1.315717054060685e-19 1.331146014918989e-19 1.3434459248368705e-19 1.352775399299789e-19 1.3592834407334784e-19 1.363099825444224e-19 1.3643463188552065e-19 1.3637406960925442e-19 1.3617443840230273e-19 1.358036947322496e-19 1.3522082287760256e-19 1.3437311122753727e-19 1.3319198662268353e-19 1.3158676586630402e-19 1.2943520288223168e-19 1.265697099959309e-19 1.2275508767946816e-19 1.176519949245581e-19 1.1075494500733823e-19 1.0128063377789953e-19 8.795404908140928e-20 6.856402696350144e-20 3.894122320386816e-20 -9.760443952147393e-21 -9.99854341976448e-20 ] } }