{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 9.25482 8.634713 8.250395 7.971168 7.751729 7.570936 7.417194 7.283452 7.165099 7.058958 6.962742 6.874752 6.793692 6.718551 6.648521 6.582952 6.521309 6.463148 6.408098 6.355841 6.306109 6.258669 6.213318 6.16988 6.140309 6.109186 6.07634 6.041569 6.004633 5.965245 5.923055 5.877635 5.828448 5.774812 5.715843 5.65036 5.576745 5.492687 5.394726 5.277332 5.130841 4.9359 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.254820000000001e-10 8.634713e-10 8.250394999999999e-10 7.971167999999999e-10 7.751729e-10 7.570936e-10 7.417194e-10 7.283452e-10 7.165099e-10 7.058958e-10 6.962742000000001e-10 6.874752e-10 6.793692000000001e-10 6.718551e-10 6.648521e-10 6.582952e-10 6.521309e-10 6.463148000000001e-10 6.408098e-10 6.355841000000001e-10 6.306109e-10 6.258669000000001e-10 6.213318e-10 6.16988e-10 6.140309000000001e-10 6.109186000000001e-10 6.07634e-10 6.041569000000001e-10 6.004633e-10 5.965245e-10 5.923055e-10 5.877635e-10 5.828448e-10 5.774812e-10 5.715842999999999e-10 5.65036e-10 5.576745e-10 5.492687e-10 5.394726000000001e-10 5.277332000000001e-10 5.130841e-10 4.9359e-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" [ 1.44125 1.89309 2.23481 2.51476 2.75284 2.95959 3.14139 3.30247 3.44583 3.57369 3.68774 3.78933 3.87954 3.95926 4.02924 4.09012 4.14245 4.18668 4.22325 4.25252 4.27482 4.29043 4.29962 4.30264 4.30117 4.29631 4.28725 4.27296 4.2521 4.22291 4.18306 4.12938 4.05749 3.9612 3.83149 3.65478 3.40983 3.06161 2.54849 1.75222 0.416077 -2.13395 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3091370737525e-19 3.03306456405906e-19 3.5805603634295398e-19 4.02908971211784e-19 4.410535925140559e-19 4.741785944220059e-19 5.0330616562812595e-19 5.291140268485979e-19 5.520828310736219e-19 5.72568261515946e-19 5.908410860267159e-19 6.07117598451522e-19 6.215708338668359e-19 6.34343385993084e-19 6.455554180778159e-19 6.553094694256079e-19 6.6369365975133e-19 6.70780087003512e-19 6.7663924695405e-19 6.813288179617679e-19 6.84901671855588e-19 6.874026695812619e-19 6.888750699079079e-19 6.89358927251376e-19 6.89123407286178e-19 6.88344749442054e-19 6.8689317741165e-19 6.84603667001664e-19 6.8126152654314e-19 6.765847729484939e-19 6.70200099062004e-19 6.61599614890692e-19 6.5008156706886585e-19 6.3465420826008e-19 6.138723751404659e-19 5.855603118410519e-19 5.463149951912219e-19 4.90524000442074e-19 4.0831311299826597e-19 2.80736594162748e-19 6.666288473448179e-20 -3.4189648281242996e-19 ] } }