{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14776 7.60183 7.263484 7.017658 6.824469 6.665302 6.529951 6.412207 6.308011 6.214567 6.12986 6.052395 5.981032 5.914879 5.853226 5.7955 5.741231 5.690028 5.641562 5.595557 5.551774 5.510008 5.470082 5.43184 5.393179 5.353339 5.312246 5.269817 5.225964 5.180587 5.133576 5.08481 5.034152 4.98145 4.926532 4.869202 4.809241 4.746393 4.680368 4.610826 4.537372 4.45954 4.376774 4.288407 4.193623 4.09142 3.980534 3.859353 3.725769 3.576948 3.408964 3.216139 2.989832 2.71592 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14776e-10 7.60183e-10 7.263484e-10 7.017658000000001e-10 6.824469e-10 6.665302e-10 6.529951e-10 6.412207000000001e-10 6.308011e-10 6.214567e-10 6.12986e-10 6.052395e-10 5.981032e-10 5.914879e-10 5.853226e-10 5.7955e-10 5.741231e-10 5.690028e-10 5.641562000000001e-10 5.595557000000001e-10 5.551774e-10 5.510008e-10 5.470082e-10 5.43184e-10 5.393179e-10 5.353339000000001e-10 5.312246000000001e-10 5.269817e-10 5.225964e-10 5.180587000000001e-10 5.133576e-10 5.08481e-10 5.034152e-10 4.981449999999999e-10 4.926532e-10 4.869202e-10 4.809241e-10 4.746393e-10 4.680368e-10 4.6108260000000003e-10 4.5373720000000007e-10 4.45954e-10 4.3767740000000003e-10 4.2884070000000006e-10 4.193623e-10 4.0914200000000006e-10 3.9805340000000003e-10 3.859353e-10 3.725769e-10 3.576948e-10 3.408964e-10 3.2161390000000004e-10 2.9898319999999997e-10 2.71592e-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" [ 0.556564 1.09572 1.5595 1.95902 2.30656 2.61146 2.88072 3.1196 3.3322 3.52169 3.69062 3.84105 3.97462 4.09272 4.19648 4.28686 4.36466 4.43057 4.48518 4.529 4.56248 4.58599 4.59988 4.60445 4.59946 4.58315 4.55319 4.50673 4.44028 4.34953 4.22912 4.07236 3.87084 3.61389 3.28787 2.87519 2.35307 1.69149 0.850724 -0.222623 -1.60117 -3.38536 -5.71672 -8.79902 -12.9336 -18.5793 -26.4609 -37.7707 -54.5713 -80.6585 -123.603 -200.208 -353.081 -712.119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.917138361255758e-20 1.75553698140648e-19 2.498594460723e-19 3.1386960695386797e-19 3.69551653691904e-19 4.18402019262564e-19 4.61542227309648e-19 4.9981502274264e-19 5.3387729798148e-19 5.642369430191459e-19 5.91302512897308e-19 6.154040560025699e-19 6.368043293029079e-19 6.557260353504479e-19 6.72350220104832e-19 6.868306925229239e-19 6.992956267354439e-19 7.09855572930138e-19 7.186050595284119e-19 7.256257975386e-19 7.309898849092319e-19 7.347566021757659e-19 7.369820255203919e-19 7.377142202421299e-19 7.369147341017639e-19 7.3430158401171e-19 7.295014628162459e-19 7.22057750174682e-19 7.114112864417518e-19 6.968715334882019e-19 6.775797246382079e-19 6.524640037236239e-19 6.201769401952559e-19 5.79009011584626e-19 5.26774848962958e-19 4.60656223631046e-19 3.7700337721663803e-19 2.7100657546446595e-19 1.363010114783016e-19 -3.5668136879098194e-20 -2.5653571610617797e-19 -5.42394468967824e-19 -9.159195207120478e-19 -1.409758424609868e-18 -2.07219117135024e-18 -2.97673203360762e-18 -4.2395035694610596e-18 -6.051533298982379e-18 -8.743286174700419e-18 -1.29229164033489e-17 -1.9803383849230197e-17 -3.2076857953987196e-17 -5.65698128109354e-17 -1.140940422427446e-16 ] } }