{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.3819 8.753278 8.363683 8.080622 7.85817 7.674895 7.519042 7.383463 7.263485 7.155886 7.058349 6.969151 6.886978 6.810804 6.739813 6.673344 6.610854 6.551895 6.496089 6.443115 6.3927 6.344608 6.298634 6.2546 6.224623 6.193073 6.159776 6.124528 6.087085 6.047156 6.004387 5.958343 5.908481 5.854109 5.79433 5.727948 5.653323 5.568111 5.468804 5.349799 5.201297 5.00368 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.3819e-10 8.753278e-10 8.363683000000001e-10 8.080622e-10 7.858170000000001e-10 7.674895e-10 7.519042000000001e-10 7.383463e-10 7.263485e-10 7.155886e-10 7.058349e-10 6.969151e-10 6.886978e-10 6.810804e-10 6.739813e-10 6.673344000000001e-10 6.610854e-10 6.551895e-10 6.496089e-10 6.443115e-10 6.3927e-10 6.344608e-10 6.298634e-10 6.2546e-10 6.224623e-10 6.193073000000001e-10 6.159776e-10 6.124528e-10 6.087085e-10 6.047156e-10 6.004387e-10 5.958343e-10 5.908481e-10 5.854109e-10 5.794330000000001e-10 5.727948e-10 5.653323000000001e-10 5.568111e-10 5.468804000000001e-10 5.349799e-10 5.201297e-10 5.00368e-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" [ 1.88991 2.87153 3.44442 3.87474 4.23048 4.52802 4.77358 4.97173 5.12863 5.25193 5.34886 5.4256 5.48722 5.53784 5.58049 5.61701 5.64841 5.67524 5.6978 5.71622 5.73053 5.74077 5.74691 5.74895 5.74794 5.74458 5.73828 5.72828 5.71361 5.69301 5.66481 5.6268 5.57594 5.50806 5.41721 5.29472 5.1275 4.89503 4.5637 4.07459 3.31406 2.02743 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0279696423629397e-19 4.600698269830019e-19 5.518569241682279e-19 6.20801789082516e-19 6.777976206604319e-19 7.254687842284679e-19 7.64811833652972e-19 7.96558963655682e-19 8.21697115043142e-19 8.414519529403619e-19 8.56981851053724e-19 8.6927695454304e-19 8.79149566961748e-19 8.87259785083056e-19 8.94093068427066e-19 8.99944217494434e-19 9.04975052125194e-19 9.092736920342158e-19 9.128882025205199e-19 9.15839411880348e-19 9.18132126643602e-19 9.19772755516818e-19 9.20756491970094e-19 9.210833360034299e-19 9.209215161633959e-19 9.20383184814372e-19 9.193738135349519e-19 9.177716369009519e-19 9.15421243778874e-19 9.12120759912834e-19 9.07602621804954e-19 9.0151274841912e-19 8.933640780585959e-19 8.82488503067004e-19 8.67932728347114e-19 8.48307666757248e-19 8.215160690835e-19 7.84270268872902e-19 7.311853504585799e-19 6.528212891130059e-19 5.30970949567404e-19 3.2483009730706197e-19 ] } }