{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.43435 7.869217 7.518971 7.264498 7.064513 6.899748 6.759636 6.63775 6.52989 6.433158 6.345472 6.265283 6.191409 6.122929 6.059108 5.999351 5.943173 5.890169 5.839999 5.792375 5.747052 5.703817 5.662487 5.6229 5.59595 5.567587 5.537653 5.505965 5.472303 5.436407 5.397958 5.356564 5.311738 5.262858 5.209116 5.149439 5.08235 5.005744 4.916468 4.809482 4.675978 4.49832 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.434350000000001e-10 7.869217e-10 7.518971e-10 7.264497999999999e-10 7.064513e-10 6.899748e-10 6.759636e-10 6.63775e-10 6.52989e-10 6.433158e-10 6.345472e-10 6.265283000000001e-10 6.191409000000001e-10 6.122929000000001e-10 6.059108000000001e-10 5.999351e-10 5.943173e-10 5.890169e-10 5.839999e-10 5.792375e-10 5.747052e-10 5.703817e-10 5.662487e-10 5.622899999999999e-10 5.595950000000001e-10 5.567586999999999e-10 5.537653e-10 5.505965e-10 5.472303000000001e-10 5.436407e-10 5.397958e-10 5.356564e-10 5.311738e-10 5.262858e-10 5.209116e-10 5.149439e-10 5.082350000000001e-10 5.005744e-10 4.916468000000001e-10 4.809482e-10 4.675978e-10 4.49832e-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" [ 0.978487 1.13007 1.36836 1.57467 1.7233 1.85613 1.99726 2.12481 2.22799 2.31321 2.38615 2.44775 2.49837 2.53986 2.57514 2.60722 2.63853 2.67021 2.70198 2.73221 2.75794 2.77664 2.78758 2.79106 2.78945 2.78435 2.7753 2.76181 2.74334 2.71919 2.68844 2.65008 2.60318 2.54728 2.48298 2.41281 2.34241 2.26943 2.17845 2.03278 1.6943 1.03316 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5677089951567297e-19 1.810571733867456e-19 2.192354400837888e-19 2.5228994594751363e-19 2.76103097062464e-19 2.9738480911655045e-19 3.1999632776590085e-19 3.4043209056420484e-19 3.5696334893761926e-19 3.7061709810007684e-19 3.8230337437219207e-19 3.9217278235632005e-19 4.0028300041080964e-19 4.0693043121050883e-19 4.1258291032869124e-19 4.177226929282176e-19 4.227391079279424e-19 4.278148034626368e-19 4.329049185869184e-19 4.377482985115968e-19 4.418706989569152e-19 4.448667692378113e-19 4.466195504609664e-19 4.471771079250048e-19 4.46919157489056e-19 4.46102047412448e-19 4.44652077570624e-19 4.424907413091648e-19 4.395315210905472e-19 4.356622645513152e-19 4.307355714423552e-19 4.245896219249664e-19 4.1707541357341443e-19 4.0811924626314245e-19 3.978172505913984e-19 3.865747772432448e-19 3.7529545383281283e-19 3.636027688542144e-19 3.4902616595817607e-19 3.2568725912298237e-19 2.71456784862144e-19 1.6553047975457283e-19 ] } }