{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 6.79214 6.337041 6.054989 5.850063 5.689016 5.556331 5.443499 5.345345 5.258486 5.180588 5.109974 5.045398 4.985908 4.930762 4.879366 4.831245 4.786005 4.743321 4.702919 4.664568 4.628069 4.593252 4.559969 4.52809 4.506387 4.483546 4.459441 4.433922 4.406815 4.377908 4.346945 4.313611 4.277512 4.238149 4.194871 4.146814 4.092787 4.031097 3.959203 3.873048 3.765537 3.62247 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.79214e-10 6.337041000000001e-10 6.054989e-10 5.850063e-10 5.689016e-10 5.556331e-10 5.443499000000001e-10 5.345345e-10 5.258486000000001e-10 5.180588e-10 5.109974e-10 5.045397999999999e-10 4.985908000000001e-10 4.930761999999999e-10 4.879366e-10 4.831245e-10 4.786005e-10 4.743321e-10 4.702919e-10 4.664568e-10 4.628069e-10 4.593252e-10 4.5599689999999997e-10 4.52809e-10 4.506387e-10 4.483546e-10 4.4594410000000003e-10 4.433922e-10 4.406815e-10 4.377908e-10 4.346945e-10 4.313611e-10 4.277512e-10 4.238149e-10 4.194871e-10 4.146814e-10 4.0927870000000006e-10 4.031097e-10 3.959203e-10 3.873048e-10 3.7655370000000005e-10 3.62247e-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 0 0 0 0 0 0.011751 0.0698209 0.152968 0.240942 0.323294 0.39573 0.457021 0.507365 0.547615 0.578897 0.602417 0.619373 0.630894 0.638022 0.641697 0.642754 0.642325 0.641067 0.63905 0.636406 0.633347 0.630094 0.625477 0.618621 0.60879 0.594936 0.57553 0.548267 0.509531 0.453363 0.36929 0.237276 0.0141297 -0.411736 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8827177626134e-21 1.118654145448506e-20 2.4508175534971197e-20 3.86031642549228e-20 5.17974092712396e-20 6.3402935937282e-20 7.32228367447314e-20 8.128883479094099e-20 8.773759574279099e-20 9.27495246892698e-20 9.651784413243779e-20 9.923449483304819e-20 1.0108036253307959e-19 1.0222239403779479e-19 1.0281119395078979e-19 1.029805440210036e-19 1.02911810643405e-19 1.027102568228478e-19 1.0238709779576999e-19 1.019634822937404e-19 1.0147337646139979e-19 1.009521884023596e-19 1.0021246345044179e-19 9.91140111501714e-20 9.7538911301286e-20 9.53192557925424e-20 9.221007181660199e-20 8.784205765932779e-20 8.163586624986539e-20 7.26367605320142e-20 5.9166780916986e-20 3.8015806300898396e-20 2.2638275185429798e-21 -6.59673798576624e-20 ] } }