{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.88861 9.226037 8.815401 8.517052 8.282586 8.089412 7.925142 7.78224 7.655783 7.542373 7.439568 7.345552 7.258942 7.178654 7.103829 7.033769 6.967905 6.905762 6.846941 6.791106 6.737968 6.687279 6.638822 6.59241 6.545489 6.497137 6.447263 6.39577 6.342547 6.287474 6.230419 6.171234 6.109753 6.045791 5.979138 5.90956 5.836787 5.760511 5.680379 5.595979 5.506831 5.41237 5.31192 5.204672 5.089637 4.965597 4.83102 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.88861e-10 9.226037e-10 8.815401e-10 8.517052e-10 8.282586000000001e-10 8.089412e-10 7.925142000000001e-10 7.782240000000001e-10 7.655783e-10 7.542373e-10 7.439568000000001e-10 7.345552e-10 7.258942000000001e-10 7.178654e-10 7.103829000000001e-10 7.033769e-10 6.967905e-10 6.905762e-10 6.846941e-10 6.791106e-10 6.737968000000001e-10 6.687279000000001e-10 6.638822000000001e-10 6.59241e-10 6.545489e-10 6.497137000000001e-10 6.447263000000001e-10 6.39577e-10 6.342547e-10 6.287474e-10 6.230419e-10 6.171234e-10 6.109753e-10 6.045791e-10 5.979138e-10 5.909560000000001e-10 5.836787e-10 5.760511e-10 5.680379000000001e-10 5.595979e-10 5.506831000000001e-10 5.412370000000001e-10 5.31192e-10 5.204672000000001e-10 5.089637e-10 4.965597e-10 4.831019999999999e-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" [ 0.0898876 0.133292 0.168637 0.198816 0.22518 0.248511 0.269315 0.287949 0.304676 0.319698 0.333174 0.345235 0.355989 0.365526 0.373923 0.381247 0.387555 0.3929 0.397327 0.400876 0.403583 0.405481 0.4066 0.406967 0.406568 0.405265 0.40288 0.399197 0.393953 0.386831 0.37744 0.365299 0.349814 0.330241 0.305646 0.274849 0.236336 0.188154 0.127755 0.051769 -0.0443175 -0.166642 -0.323703 -0.527485 -0.795288 -1.15272 -1.63885 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.440158124063384e-20 2.1355732789912796e-20 2.70186261027858e-20 3.18538349665344e-20 3.6077813444411995e-20 3.9815851749197396e-20 4.3149020018571e-20 4.6134515958366596e-20 4.8814476814058397e-20 5.122126655365319e-20 5.33803597856316e-20 5.5312745023899e-20 5.703572577610259e-20 5.85637216319484e-20 5.99090693515182e-20 6.108250351825979e-20 6.209315653898699e-20 6.294951994986e-20 6.365880354573179e-20 6.42274160331384e-20 6.46611252479622e-20 6.496521837309539e-20 6.514450193844e-20 6.52033018209078e-20 6.513937497321119e-20 6.493061135780099e-20 6.4548492230592e-20 6.39584105762898e-20 6.31182291494202e-20 6.197715895068539e-20 6.047255487369599e-20 5.852735222235659e-20 5.60463817046076e-20 5.29104413788794e-20 4.896988794755639e-20 4.40356645678266e-20 3.7865201697302394e-20 3.0145594239363594e-20 2.0468607587667e-20 8.2943082165546e-21 -7.1004462977295e-21 -2.66989918643028e-20 -5.18629382955702e-20 -8.451241417854899e-20 -1.274191850900592e-19 -1.8468610495444799e-19 -2.6257271766308996e-19 ] } }