{ "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" [ "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" [ 11.0376 10.298036 9.839684 9.506666 9.244955 9.029335 8.845976 8.686469 8.545318 8.418729 8.303978 8.199038 8.102363 8.012746 7.929226 7.851025 7.777508 7.708143 7.642488 7.580165 7.520852 7.464273 7.410186 7.35838 7.323112 7.285994 7.246822 7.205353 7.161302 7.114327 7.06401 7.00984 6.951178 6.887211 6.816882 6.738786 6.65099 6.55074 6.433909 6.293902 6.119192 5.8867 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.10376e-09 1.0298036e-09 9.839684e-10 9.506666e-10 9.244955e-10 9.029335e-10 8.845976000000001e-10 8.686469000000001e-10 8.545318e-10 8.418729000000001e-10 8.303978000000001e-10 8.199038e-10 8.102363e-10 8.012746e-10 7.929226e-10 7.851025e-10 7.777508000000001e-10 7.708143e-10 7.642488000000001e-10 7.580165000000001e-10 7.520852e-10 7.464273e-10 7.410186000000001e-10 7.358380000000001e-10 7.323112e-10 7.285994e-10 7.246822e-10 7.205353e-10 7.161302e-10 7.114327e-10 7.06401e-10 7.00984e-10 6.951178e-10 6.887211e-10 6.816882e-10 6.738786e-10 6.65099e-10 6.55074e-10 6.433909e-10 6.293902e-10 6.119192e-10 5.886700000000001e-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" [ 0.00862835 0.0466979 0.0916094 0.135688 0.206648 0.324551 0.45618 0.536908 0.609927 0.676519 0.7351 0.786593 0.831629 0.870775 0.904546 0.933404 0.957756 0.97797 0.994373 1.00726 1.01688 1.02349 1.0273 1.02852 1.02794 1.02606 1.02262 1.01732 1.00978 0.999524 0.985944 0.968266 0.945467 0.916174 0.878489 0.829709 0.765816 0.680539 0.563416 0.395401 0.138205 -0.297802 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.382414064607968e-21 7.481828362045632e-21 1.467744389255155e-20 2.1739614132311043e-20 3.310865943350784e-20 5.199880244572608e-20 7.30880930876544e-20 8.602214451204865e-20 9.772107797946817e-20 1.0839029253269953e-19 1.17776003395008e-19 1.2602609146849345e-19 1.3324165409792832e-19 1.39513534697712e-19 1.4492424536381569e-19 1.4954780665612033e-19 1.534494271630925e-19 1.566880669843776e-19 1.5931611729547585e-19 1.613808423067008e-19 1.629221362159104e-19 1.639811749622592e-19 1.6459160425478402e-19 1.6478706980252162e-19 1.6469414355851522e-19 1.6439293435380481e-19 1.6384178559624963e-19 1.629926319872256e-19 1.617845908151424e-19 1.6014139847284993e-19 1.5796564262180353e-19 1.5513331479155328e-19 1.5148051231379135e-19 1.4678725633848194e-19 1.4074945374299712e-19 1.3293403618673474e-19 1.226972491034573e-19 1.0903436753426113e-19 9.026919429846529e-20 6.335022380409409e-20 2.2142881987766402e-20 -4.7713140202748167e-20 ] } }