{ "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" [ 9.31605 8.69184 8.30498 8.023905 7.803015 7.621026 7.466267 7.331639 7.212504 7.10566 7.008807 6.920235 6.83864 6.763001 6.692507 6.626504 6.564454 6.505908 6.450494 6.397892 6.347831 6.300076 6.254425 6.2107 6.180933 6.149604 6.116541 6.081541 6.044361 6.004712 5.962243 5.916523 5.86701 5.81302 5.75366 5.687745 5.613643 5.529029 5.43042 5.31225 5.16479 4.96856 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.316050000000001e-10 8.691839999999999e-10 8.304980000000001e-10 8.023904999999999e-10 7.803015e-10 7.621026e-10 7.466267e-10 7.331639e-10 7.212504e-10 7.10566e-10 7.008807e-10 6.920235e-10 6.83864e-10 6.763001000000001e-10 6.692507000000001e-10 6.626504e-10 6.564454e-10 6.505908e-10 6.450494e-10 6.397892e-10 6.347831e-10 6.300076e-10 6.254425e-10 6.2107e-10 6.180933e-10 6.149604e-10 6.116541e-10 6.081541e-10 6.044361e-10 6.004712e-10 5.962243000000001e-10 5.916523e-10 5.86701e-10 5.81302e-10 5.75366e-10 5.687745e-10 5.613643e-10 5.529029e-10 5.43042e-10 5.31225e-10 5.164790000000001e-10 4.96856e-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" [ 0.939374 1.33898 1.65273 1.91426 2.13853 2.33406 2.50622 2.65866 2.7941 2.9146 3.02191 3.11722 3.20158 3.27595 3.34114 3.39768 3.44611 3.48692 3.52055 3.54735 3.5677 3.58199 3.59039 3.59314 3.5918 3.58739 3.5792 3.56634 3.54758 3.52138 3.48568 3.43772 3.37365 3.28808 3.17325 3.01743 2.80237 2.49835 2.05284 1.36646 0.225338 -1.92478 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5050430609873794e-19 2.1452824517187842e-19 2.6479653664947844e-19 3.066982618132608e-19 3.426302768879424e-19 3.739576363544448e-19 4.015407090581376e-19 4.259642894656128e-19 4.47664169617728e-19 4.669703978983681e-19 4.841633552161728e-19 4.994337005890176e-19 5.129496625620864e-19 5.24865050090976e-19 5.353096394819713e-19 5.443683460959744e-19 5.521276874705088e-19 5.586661702599936e-19 5.64054290235744e-19 5.68348123579488e-19 5.71608553002816e-19 5.738980633939392e-19 5.752438917554113e-19 5.756844903261312e-19 5.754697986589441e-19 5.747632387691713e-19 5.734510561167361e-19 5.713906569823872e-19 5.683849736417664e-19 5.641872708952704e-19 5.584675003590145e-19 5.507834612856576e-19 5.40518315676192e-19 5.268084903320064e-19 5.0841069619536e-19 4.834455800900544e-19 4.489891696831296e-19 4.00279796057568e-19 3.2890122542430726e-19 2.189310265258368e-19 3.6103127537783044e-20 -3.083837516183424e-19 ] } }