{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.08587 7.544087 7.208311 6.964352 6.77263 6.614673 6.48035 6.3635 6.260096 6.167361 6.083298 6.006422 5.9356 5.86995 5.808765 5.751478 5.697621 5.646806 5.598709 5.553053 5.509603 5.468154 5.428531 5.39058 5.364744 5.337552 5.308855 5.278476 5.246205 5.211792 5.174931 5.135248 5.092273 5.045412 4.993891 4.936679 4.872362 4.798921 4.713333 4.610767 4.482778 4.31246 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.08587e-10 7.544087000000001e-10 7.208311e-10 6.964352e-10 6.77263e-10 6.614673e-10 6.48035e-10 6.363500000000001e-10 6.260096e-10 6.167361e-10 6.083298e-10 6.006422e-10 5.935600000000001e-10 5.86995e-10 5.808765000000001e-10 5.751477999999999e-10 5.697621000000001e-10 5.646806e-10 5.598709e-10 5.553053000000001e-10 5.509603e-10 5.468154000000001e-10 5.428531000000001e-10 5.39058e-10 5.364744e-10 5.337551999999999e-10 5.308855e-10 5.278476000000001e-10 5.246204999999999e-10 5.211792e-10 5.174931e-10 5.135248e-10 5.092273e-10 5.045412e-10 4.993891e-10 4.936679e-10 4.872362e-10 4.798921e-10 4.713333000000001e-10 4.610767e-10 4.482778e-10 4.31246e-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" [ 1.55815 2.06802 2.37448 2.60567 2.7932 2.94598 3.06843 3.18402 3.30244 3.42227 3.5407 3.65415 3.75922 3.85332 3.93494 4.00352 4.05928 4.10295 4.13556 4.15828 4.17423 4.18638 4.19406 4.19673 4.19535 4.19067 4.18167 4.16707 4.1452 4.11386 4.07016 4.01026 3.92894 3.81906 3.67056 3.46893 3.19237 2.80645 2.25243 1.41927 0.0229857 -2.74873 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.49643150169952e-19 3.3133332953468163e-19 3.8043363425571845e-19 4.174743555519936e-19 4.475199737218561e-19 4.719980281344385e-19 4.916166808561345e-19 5.101362404159616e-19 5.291092159594752e-19 5.483080984065217e-19 5.672826761266561e-19 5.85459369889632e-19 6.022934396443777e-19 6.173699216461056e-19 6.304468872250753e-19 6.414346144905216e-19 6.503683513281025e-19 6.57365056631136e-19 6.625897545915648e-19 6.662298998740225e-19 6.687853715841984e-19 6.707320161784704e-19 6.719624878232449e-19 6.723902689809984e-19 6.721691686073281e-19 6.714193499487936e-19 6.699773909900737e-19 6.676382131237056e-19 6.641342528540161e-19 6.591130313244288e-19 6.521115194915327e-19 6.425144815329408e-19 6.294855812525952e-19 6.118808645432448e-19 5.880885417243648e-19 5.557838545191744e-19 5.114740578943296e-19 4.49642857744416e-19 3.608790685988544e-19 2.273921212602816e-19 3.6827151152722565e-21 -4.403950942891584e-19 ] } }