{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 4.84362 4.51908 4.317942 4.171805 4.05696 3.96234 3.881877 3.811881 3.74994 3.69439 3.644034 3.597983 3.55556 3.516233 3.479582 3.445266 3.413004 3.382565 3.353754 3.326405 3.300377 3.275549 3.251814 3.22908 3.213603 3.197315 3.180125 3.161927 3.142596 3.121982 3.099901 3.07613 3.050387 3.022316 2.991454 2.957182 2.918655 2.874662 2.823392 2.761953 2.685285 2.58326 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84362e-10 4.51908e-10 4.3179420000000006e-10 4.171805e-10 4.05696e-10 3.96234e-10 3.8818769999999997e-10 3.811881e-10 3.74994e-10 3.69439e-10 3.644034e-10 3.597983e-10 3.55556e-10 3.5162330000000004e-10 3.4795820000000005e-10 3.4452660000000005e-10 3.413004e-10 3.382565e-10 3.353754e-10 3.326405e-10 3.300377e-10 3.275549e-10 3.251814e-10 3.22908e-10 3.213603e-10 3.197315e-10 3.180125e-10 3.161927e-10 3.1425960000000004e-10 3.121982e-10 3.099901e-10 3.07613e-10 3.050387e-10 3.022316e-10 2.9914540000000003e-10 2.957182e-10 2.918655e-10 2.8746619999999997e-10 2.8233920000000003e-10 2.7619530000000004e-10 2.685285e-10 2.5832600000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.42665 1.83231 2.11415 2.32936 2.50161 2.64342 2.76228 2.86311 2.94934 3.02346 3.08735 3.14245 3.18993 3.23071 3.26555 3.29508 3.31986 3.34032 3.35685 3.36981 3.37948 3.38611 3.38995 3.39119 3.39059 3.38866 3.38511 3.37959 3.37165 3.36073 3.34608 3.32673 3.30136 3.26816 3.22457 3.16687 3.08944 2.98339 2.83382 2.61364 2.26795 1.66524 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2857452948961e-19 2.93568426824454e-19 3.3872417307710995e-19 3.7320461641742395e-19 4.0080210893807397e-19 4.2352257578482797e-19 4.42566047256552e-19 4.58720794257174e-19 4.725363633721559e-19 4.84411696583364e-19 4.9464800309799e-19 5.0347599635133e-19 5.11083131009562e-19 5.1761680732301395e-19 5.2319879071587e-19 5.27930018316072e-19 5.31900212015124e-19 5.35178265408288e-19 5.3782666338429e-19 5.39903084301954e-19 5.414523891070319e-19 5.425146322153739e-19 5.4312986804283e-19 5.43328537945446e-19 5.43232407347406e-19 5.429231872570439e-19 5.42354414551974e-19 5.414700130500059e-19 5.4019788480261e-19 5.38448307918282e-19 5.361011191494719e-19 5.330009073626819e-19 5.289361852422239e-19 5.236169588173439e-19 5.16633070869738e-19 5.0738851169155795e-19 4.94982858014496e-19 4.779917748109259e-19 4.540280188961879e-19 4.18751293768776e-19 3.6336564970802995e-19 2.66800861800216e-19 ] } }