{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.1405 7.595056 7.257012 7.011405 6.818388 6.659363 6.524132 6.406493 6.302391 6.209029 6.124398 6.047002 5.975703 5.909608 5.84801 5.790336 5.736115 5.684957 5.636535 5.590571 5.546827 5.505098 5.465208 5.427 5.400989 5.373614 5.344723 5.314139 5.28165 5.247005 5.209895 5.169943 5.126679 5.079501 5.027632 4.970034 4.905283 4.831346 4.74518 4.641921 4.513068 4.3416 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1405e-10 7.595055999999999e-10 7.257012e-10 7.011405e-10 6.818388e-10 6.659363e-10 6.524132e-10 6.406493e-10 6.302391e-10 6.209029e-10 6.124398e-10 6.047002000000001e-10 5.975703e-10 5.909608e-10 5.848010000000001e-10 5.790336e-10 5.736115e-10 5.684957e-10 5.636535000000001e-10 5.590571e-10 5.546827e-10 5.505098e-10 5.465207999999999e-10 5.427e-10 5.400989e-10 5.373614e-10 5.344723e-10 5.314139e-10 5.28165e-10 5.247005e-10 5.209895e-10 5.169943e-10 5.126679e-10 5.079501e-10 5.027632e-10 4.970034e-10 4.905283e-10 4.831346e-10 4.74518e-10 4.641921e-10 4.513068e-10 4.3416e-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" [ 1.52104 1.78375 1.95205 2.08537 2.20918 2.32954 2.44435 2.55023 2.64605 2.73185 2.80866 2.87797 2.94085 2.99812 3.05042 3.09826 3.14201 3.18129 3.21537 3.24365 3.26579 3.28162 3.29108 3.29421 3.29268 3.28762 3.27824 3.26351 3.24214 3.21247 3.17235 3.11893 3.04842 2.95566 2.83346 2.67141 2.45397 2.15685 1.73483 1.09118 0.0201921 -1.98121 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.436974727301632e-19 2.857882547352e-19 3.1275288726326404e-19 3.3411310597176965e-19 3.5394965471389443e-19 3.7323345252184326e-19 3.9162804230524805e-19 4.0859188836627843e-19 4.23943944746784e-19 4.376906201532481e-19 4.499969387776129e-19 4.611016249363776e-19 4.71176111527968e-19 4.803517770352897e-19 4.887311607620736e-19 4.963959737159808e-19 5.034054964319808e-19 5.096988461984833e-19 5.151590641221696e-19 5.19690019605792e-19 5.232372386442432e-19 5.257734842349696e-19 5.272891433182464e-19 5.277906246005569e-19 5.275454915775744e-19 5.267347902074496e-19 5.252319485371392e-19 5.228719423747008e-19 5.194480909360513e-19 5.146944329021377e-19 5.08266500299488e-19 4.997076727911744e-19 4.884107254379137e-19 4.735489351033728e-19 4.539703367971969e-19 4.280070646571328e-19 3.931693362144576e-19 3.45565464457248e-19 2.7795040670624643e-19 1.7482630850845442e-19 3.2351310544855684e-21 -3.174248342895168e-19 ] } }