{ "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" [ 2.2857452760643203e-19 2.9356842440580484e-19 3.38724170286432e-19 3.732046133426688e-19 4.008021056359488e-19 4.235225722955136e-19 4.425660436103424e-19 4.587207904778688e-19 4.725363594790272e-19 4.844116925923968e-19 4.94647999022688e-19 5.034759922032961e-19 5.110831267988545e-19 5.176168030584769e-19 5.23198786405344e-19 5.279300139665664e-19 5.319002076329088e-19 5.351782609990656e-19 5.378266589532481e-19 5.399030798538048e-19 5.414523846461185e-19 5.4251462774570885e-19 5.43129863568096e-19 5.433285334690752e-19 5.4323240287182725e-19 5.429231827840128e-19 5.423544100836288e-19 5.414700085889472e-19 5.40197880352032e-19 5.384483034821184e-19 5.361011147326465e-19 5.330009029713984e-19 5.289361808844288e-19 5.236169545033728e-19 5.166330666133056e-19 5.073885075112896e-19 4.949828539364352e-19 4.779917708728512e-19 4.540280151555456e-19 4.1875129031877124e-19 3.63365646714336e-19 2.6680085960209924e-19 ] } }