{ "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.24857e-10 6.803112e-10 6.534424e-10 6.341426e-10 6.190717e-10 6.067053e-10 5.96219e-10 5.871159e-10 5.790731e-10 5.718692e-10 5.653457000000001e-10 5.593851000000001e-10 5.538978e-10 5.488142e-10 5.44079e-10 5.396474000000001e-10 5.354829e-10 5.31555e-10 5.278384e-10 5.243114000000001e-10 5.209557e-10 5.177553e-10 5.130231e-10 5.079950000000001e-10 5.026313000000001e-10 4.968843e-10 4.906947e-10 4.839888e-10 4.766724e-10 4.686232000000001e-10 4.59678e-10 4.496118e-10 4.38103e-10 4.2466770000000003e-10 4.0852890000000005e-10 3.88317e-10 ] "source-value" [ 7.24857 6.803112 6.534424 6.341426 6.190717 6.067053 5.96219 5.871159 5.790731 5.718692 5.653457 5.593851 5.538978 5.488142 5.44079 5.396474 5.354829 5.31555 5.278384 5.243114 5.209557 5.177553 5.130231 5.07995 5.026313 4.968843 4.906947 4.839888 4.766724 4.686232 4.59678 4.496118 4.38103 4.246677 4.085289 3.88317 ] } "wyckoff-species" { "source-value" [ "Si" ] } "wyckoff-multiplicity-and-letter" { "source-value" [ "8a" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "space-group" { "source-value" "Fd-3m" } "cohesive-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" [ 3.056824818356736e-20 1.3528186580685503e-19 2.2295729637390723e-19 2.894924870824896e-19 3.407156758260864e-19 3.810184287223104e-19 4.1330869633791364e-19 4.395363276204097e-19 4.61050355284512e-19 4.788152896559424e-19 4.935376906244736e-19 5.057478786515904e-19 5.158576131288385e-19 5.241873293803777e-19 5.309917734889153e-19 5.364792284151553e-19 5.408179227042816e-19 5.441488478989249e-19 5.465857585391616e-19 5.482295917521024e-19 5.491652628986497e-19 5.494632677501184e-19 5.487919557460032e-19 5.465553171833665e-19 5.423335817875584e-19 5.355739986244032e-19 5.255235446821249e-19 5.111504182169281e-19 4.91139232223136e-19 4.643876891856385e-19 4.2869600060407684e-19 3.7334720706192e-19 2.663266153223424e-19 3.492168249760512e-20 -4.726228770165504e-19 -1.5958640449140481e-18 ] "source-value" [ 0.190792 0.844363 1.39159 1.80687 2.12658 2.37813 2.57967 2.74337 2.87765 2.98853 3.08042 3.15663 3.21973 3.27172 3.31419 3.34844 3.37552 3.39631 3.41152 3.42178 3.42762 3.42948 3.42529 3.41133 3.38498 3.34279 3.28006 3.19035 3.06545 2.89848 2.67571 2.33025 1.66228 0.217964 -2.94988 -9.9606 ] } "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 ] ] } "wyckoff-coordinates" { "source-value" [ [ 0 0 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "instance-id" 1 }