{ "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 8.481561 8.418906 8.354281 8.287555 8.21859 8.147227 8.073296 7.996605 7.916938 7.834056 7.747689 7.65753 7.563232 7.464395 7.36056 7.251196 7.135679 7.013277 6.883115 6.744144 6.595084 6.434354 6.25997 6.069396 5.859315 5.625273 5.361092 5.057847 4.701947 4.27118 ] "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 8.481561e-10 8.418906e-10 8.354281000000001e-10 8.287555e-10 8.218590000000001e-10 8.147227000000001e-10 8.073295999999999e-10 7.996605e-10 7.916938000000001e-10 7.834056e-10 7.747689000000001e-10 7.657530000000001e-10 7.563232e-10 7.464395e-10 7.360560000000001e-10 7.251196000000001e-10 7.135679e-10 7.013277000000001e-10 6.883115e-10 6.744144000000001e-10 6.595084e-10 6.434354e-10 6.25997e-10 6.069396000000001e-10 5.859315e-10 5.625273e-10 5.361092000000001e-10 5.057847e-10 4.701947e-10 4.2711800000000005e-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 0.850717 0.84799 0.843025 0.835404 0.824625 0.810081 0.791039 0.766608 0.735694 0.69695 0.648706 0.588873 0.514818 0.42319 0.309687 0.16872 -0.0070618 -0.227455 -0.505723 -0.860123 -1.3163 -1.91107 -2.6987 -3.7616 -5.2295 -7.31562 -10.3893 -15.1343 -22.9298 -36.8999 ] "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 1.3629988995465777e-19 1.35862976386566e-19 1.35067495687785e-19 1.3384647687501359e-19 1.32119490681225e-19 1.297892849847354e-19 1.267384202382726e-19 1.2282414250374718e-19 1.1787117365739959e-19 1.1166370050663e-19 1.039341595535604e-19 9.434785609934819e-20 8.24829370362612e-20 6.7802512974246e-20 4.9617327525355796e-20 2.7031924168848e-20 -1.13142509539812e-21 -3.6442308628646996e-20 -8.10257573876382e-20 -1.3780689729659818e-19 -2.1089451033342e-19 -3.06187169993838e-19 -4.3237940821758e-19 -6.0267476264544e-19 -8.378582707503e-19 -1.1720915427223079e-18 -1.66454937036162e-18 -2.42478218319462e-18 -3.67375897822932e-18 -5.91201575769366e-18 ] } }