{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 6.067 5.660489 5.40855 5.225503 5.08165 4.963131 4.862346 4.774671 4.697085 4.627504 4.56443 4.506748 4.45361 4.404351 4.358443 4.315459 4.275049 4.236922 4.200833 4.166577 4.133975 4.102875 4.073146 4.04467 4.025285 4.004882 3.98335 3.960556 3.936343 3.910523 3.882865 3.85309 3.820846 3.785685 3.747028 3.704101 3.655843 3.600739 3.536521 3.459564 3.363532 3.23574 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.067000000000001e-10 5.660489e-10 5.40855e-10 5.225503e-10 5.08165e-10 4.963131e-10 4.862346e-10 4.774671e-10 4.697085000000001e-10 4.627504e-10 4.56443e-10 4.5067480000000004e-10 4.4536100000000006e-10 4.404351e-10 4.3584430000000004e-10 4.315459e-10 4.2750490000000003e-10 4.236922e-10 4.2008330000000003e-10 4.1665770000000003e-10 4.1339750000000007e-10 4.102875e-10 4.0731460000000003e-10 4.0446700000000003e-10 4.0252850000000004e-10 4.004882e-10 3.9833500000000005e-10 3.960556e-10 3.936343e-10 3.910523e-10 3.882865e-10 3.8530900000000003e-10 3.820846e-10 3.785685e-10 3.7470279999999997e-10 3.704101e-10 3.655843e-10 3.600739e-10 3.536521e-10 3.459564e-10 3.363532e-10 3.23574e-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 0 0.124051 0.555419 0.927479 1.1969 1.38651 1.52018 1.61582 1.68576 1.74105 1.78961 1.83221 1.86941 1.90169 1.92946 1.95307 1.97282 1.98898 2.00179 2.01146 2.01816 2.02208 2.02335 2.02274 2.02071 2.01697 2.01111 2.00262 1.99083 1.97489 1.95362 1.92543 1.88812 1.83852 1.77194 1.68118 1.55467 1.3725 1.09769 0.546405 -2.41722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.987516119868608e-20 8.898793365481153e-20 1.4859851700829634e-19 1.9176451974355203e-19 2.221433906505408e-19 2.435596855407744e-19 2.588829027421056e-19 2.700885260279808e-19 2.78946960564384e-19 2.867271302349888e-19 2.935524026395968e-19 2.9951249966897283e-19 3.046843258009152e-19 3.091335702768768e-19 3.1291630927858564e-19 3.160806081046656e-19 3.1866972552387843e-19 3.2072211377512325e-19 3.2227141856743683e-19 3.233448769033728e-19 3.239729301387264e-19 3.2417640656956805e-19 3.2407867379569927e-19 3.237534319416768e-19 3.231542178854976e-19 3.222153423857088e-19 3.208550944346496e-19 3.189661281987264e-19 3.164122586651712e-19 3.130044289927296e-19 3.084878930986944e-19 3.025101721264896e-19 2.945633760873216e-19 2.838960841460352e-19 2.693547291356544e-19 2.490855927059136e-19 2.1989874120480003e-19 1.758693254885952e-19 8.754373164882241e-20 -3.872813371330176e-19 ] } }