{ "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" [ 8.757032778072768e-20 1.1489737266041665e-19 1.3714439612853505e-19 1.560593728783757e-19 1.7247431322912002e-19 1.868842897565952e-19 1.996247982451968e-19 2.109361651880448e-19 2.2099943654328963e-19 2.299588082068032e-19 2.379248303654208e-19 2.449936336163904e-19 2.51245326790752e-19 2.567423947767168e-19 2.6154411810925444e-19 2.6569856208698884e-19 2.692505876553024e-19 2.722386470530944e-19 2.7469478381278083e-19 2.76647837113536e-19 2.7812985048777602e-19 2.791600500549504e-19 2.7976407064099203e-19 2.799611383653504e-19 2.798666099447232e-19 2.795509811504256e-19 2.789677888604544e-19 2.78049741656736e-19 2.767183328848512e-19 2.748646145345856e-19 2.7234919723992963e-19 2.689830241596288e-19 2.645081448577344e-19 2.585624674179456e-19 2.506268866151232e-19 2.39933959847904e-19 2.252932698870336e-19 2.0478060261093123e-19 1.7507785023792002e-19 1.2997401487980672e-19 5.641968839549953e-20 -7.828443252189505e-20 ] } }