{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.83113 8.239412 7.872688 7.606244 7.396851 7.224335 7.077632 6.950012 6.837078 6.735796 6.643984 6.560023 6.482674 6.410972 6.344148 6.281581 6.22276 6.167262 6.114732 6.064868 6.017413 5.972144 5.928869 5.88742 5.845517 5.802335 5.757795 5.711808 5.664276 5.615093 5.56414 5.511284 5.456377 5.399255 5.339731 5.277593 5.212602 5.144483 5.07292 4.997546 4.917931 4.833571 4.743864 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.83113e-10 8.239412e-10 7.872688e-10 7.606244000000001e-10 7.396851e-10 7.224335e-10 7.077632e-10 6.950012e-10 6.837078e-10 6.735796e-10 6.643984e-10 6.560023e-10 6.482674000000001e-10 6.410972e-10 6.344148e-10 6.281581e-10 6.22276e-10 6.167262e-10 6.114732e-10 6.064868e-10 6.017413e-10 5.972144e-10 5.928869e-10 5.88742e-10 5.845517e-10 5.802335000000001e-10 5.757795e-10 5.711808e-10 5.664276e-10 5.615093e-10 5.56414e-10 5.511284e-10 5.456377e-10 5.399255e-10 5.339731e-10 5.277593e-10 5.212602000000001e-10 5.144483e-10 5.07292e-10 4.997546e-10 4.917931000000001e-10 4.833571e-10 4.743864e-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" [ 1.13313 1.34436 1.4406 1.53126 1.65295 1.76699 1.86742 1.95787 2.03955 2.11021 2.16939 2.22017 2.26617 2.30912 2.34842 2.38308 2.41177 2.43368 2.44923 2.45946 2.4657 2.46938 2.47143 2.47214 2.47123 2.46755 2.45843 2.44167 2.4159 2.3809 2.33731 2.28438 2.21902 2.13793 2.03663 1.91056 1.75502 1.56441 1.33191 1.05422 0.728421 0.344652 -0.117267 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8154744092844198e-19 2.1539021796842398e-19 2.3080956589404e-19 2.45334899257884e-19 2.6483178671703e-19 2.83103009051166e-19 2.99193668986428e-19 3.13685356640958e-19 3.2677193538747e-19 3.3809291548331395e-19 3.4757459680332597e-19 3.55710449750778e-19 3.6308046226717793e-19 3.6996181091020797e-19 3.76258365081828e-19 3.81811509295272e-19 3.86408154058218e-19 3.8991852306331193e-19 3.92409907729182e-19 3.9404893442576396e-19 3.9504869264537995e-19 3.95638293646692e-19 3.959667398566619e-19 3.9608049439767595e-19 3.9593469632398196e-19 3.9534509532267e-19 3.9388391023246195e-19 3.9119866219387796e-19 3.8706985300806e-19 3.8146223478906e-19 3.7447834684145396e-19 3.65998025917692e-19 3.55526199437868e-19 3.42534149112762e-19 3.2630409981034203e-19 3.0610545898550396e-19 2.8118520362026798e-19 2.50646114799594e-19 2.1339550805909397e-19 1.6890466510954799e-19 1.167059105914914e-19 5.52193381261368e-20 -1.87882447339278e-20 ] } }