{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6049 9.894334 9.453953 9.133993 8.882544 8.675378 8.499208 8.345956 8.210338 8.088713 7.978461 7.877636 7.784752 7.698649 7.618403 7.543269 7.472634 7.405989 7.342908 7.283029 7.226042 7.171681 7.119714 7.06994 7.036055 7.000392 6.962755 6.922911 6.880588 6.835453 6.787109 6.735063 6.678701 6.617241 6.549669 6.474634 6.39028 6.29396 6.181708 6.047189 5.879328 5.65595 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0604900000000001e-09 9.894334e-10 9.453953e-10 9.133993000000001e-10 8.882544e-10 8.675378e-10 8.499207999999999e-10 8.345955999999999e-10 8.210338000000001e-10 8.088713e-10 7.978461000000001e-10 7.877636e-10 7.784752e-10 7.698649e-10 7.618403e-10 7.543269e-10 7.472634e-10 7.405989000000001e-10 7.342908000000001e-10 7.283029000000001e-10 7.226042e-10 7.171681e-10 7.119714e-10 7.06994e-10 7.036055e-10 7.000392e-10 6.962755e-10 6.922911e-10 6.880588e-10 6.835453e-10 6.787109e-10 6.735063e-10 6.678701e-10 6.617241e-10 6.549669e-10 6.474634e-10 6.39028e-10 6.293960000000001e-10 6.181708000000001e-10 6.047189e-10 5.879328e-10 5.65595e-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" [ 0.546571 0.717133 0.855988 0.974046 1.0765 1.16644 1.24596 1.31656 1.37937 1.43529 1.48501 1.52913 1.56815 1.60246 1.63243 1.65836 1.68053 1.69918 1.71451 1.7267 1.73595 1.74238 1.74615 1.74738 1.74679 1.74482 1.74118 1.73545 1.72714 1.71557 1.69987 1.67886 1.65093 1.61382 1.56429 1.49755 1.40617 1.27814 1.09275 0.811234 0.352144 -0.488613 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.75703285022014e-20 1.1489737360703218e-19 1.371443972584392e-19 1.5605937416411639e-19 1.724743146501e-19 1.8688429129629598e-19 1.9962479988986399e-19 2.1093616692590398e-19 2.20999438364058e-19 2.29958810101386e-19 2.37924832325634e-19 2.44993635634842e-19 2.5124532886070996e-19 2.56742396891964e-19 2.61544120264062e-19 2.6569856427602397e-19 2.69250589873602e-19 2.7223864929601195e-19 2.74694786075934e-19 2.7664783939277998e-19 2.7812985277923e-19 2.79160052354892e-19 2.7976407294591e-19 2.79961140671892e-19 2.7986661225048597e-19 2.79550983453588e-19 2.7896779115881197e-19 2.7804974394752996e-19 2.7671833516467596e-19 2.74864616799138e-19 2.72349199483758e-19 2.6898302637572397e-19 2.64508147036962e-19 2.58562469548188e-19 2.50626888679986e-19 2.3993396182467e-19 2.2529327174317798e-19 2.04780604298076e-19 1.7507785168035001e-19 1.299740159506356e-19 5.64196888603296e-20 -7.82844331668642e-20 ] } }