{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1465 7.600654 7.262361 7.016573 6.823413 6.664272 6.528941 6.411215 6.307036 6.213606 6.128912 6.051459 5.980107 5.913964 5.852321 5.794604 5.740343 5.689148 5.64069 5.594691 5.550915 5.509156 5.469236 5.431 5.40497 5.377574 5.348662 5.318055 5.285543 5.250872 5.213735 5.173754 5.130458 5.083245 5.031338 4.973697 4.908898 4.834907 4.748677 4.645342 4.516395 4.3448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1465e-10 7.600654e-10 7.262361000000001e-10 7.016573e-10 6.823413e-10 6.664272000000001e-10 6.528941e-10 6.411215e-10 6.307036e-10 6.213606000000001e-10 6.128912e-10 6.051459000000001e-10 5.980107e-10 5.913964e-10 5.852321e-10 5.794604e-10 5.740343000000001e-10 5.689148e-10 5.640690000000001e-10 5.594691000000001e-10 5.550915e-10 5.509156e-10 5.469236e-10 5.431e-10 5.40497e-10 5.377574e-10 5.348662000000001e-10 5.318055000000001e-10 5.285543e-10 5.250872e-10 5.213735e-10 5.173754e-10 5.130458e-10 5.083245e-10 5.031338e-10 4.973697e-10 4.908898e-10 4.834907000000001e-10 4.748677e-10 4.6453420000000004e-10 4.5163950000000005e-10 4.3448000000000003e-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" [ 1.61456 2.13323 2.5179 2.82687 3.08478 3.30489 3.49533 3.66155 3.80741 3.93577 4.04885 4.14838 4.23578 4.31219 4.37858 4.43577 4.48446 4.52525 4.55869 4.58522 4.60527 4.6192 4.62735 4.63 4.62871 4.62447 4.61656 4.60411 4.58597 4.56063 4.52611 4.47971 4.41773 4.33494 4.22376 4.07285 3.86454 3.56989 3.13835 2.47393 1.37111 -0.697099 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.586810284878848e-19 3.4178112327891847e-19 4.03412051351232e-19 4.529145024040896e-19 4.942362396311424e-19 5.295017492315713e-19 5.600136007980865e-19 5.8664498058902405e-19 6.100143287800128e-19 6.305798678846017e-19 6.48697281112608e-19 6.646437450194305e-19 6.786467686852225e-19 6.908890002447553e-19 7.015258508302465e-19 7.106886989246016e-19 7.184896968912769e-19 7.2502497532752e-19 7.303826539474753e-19 7.346332285224576e-19 7.378455926471616e-19 7.400774246799361e-19 7.41383198625888e-19 7.418077754304e-19 7.416010946463168e-19 7.409217717590976e-19 7.396544500520448e-19 7.376597401591489e-19 7.347533917690176e-19 7.306934762119104e-19 7.251627625169088e-19 7.177286629963968e-19 7.077983723006784e-19 6.945339520570752e-19 6.767209523870209e-19 6.525425050025281e-19 6.191675638146432e-19 5.719594296827712e-19 5.02819099788768e-19 3.9636728074957445e-19 2.196760386545088e-19 -1.1168757201830594e-19 ] } }