{ "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" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.13802 6.092678 6.045909 5.997621 5.947711 5.896067 5.842563 5.787062 5.729409 5.669428 5.606925 5.541678 5.473435 5.401907 5.326763 5.247617 5.164019 5.075438 4.981241 4.880669 4.772796 4.656477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.13802e-10 6.092678e-10 6.045909000000001e-10 5.997621e-10 5.947711e-10 5.896067000000001e-10 5.842563000000001e-10 5.787062e-10 5.729409000000001e-10 5.669428e-10 5.606925e-10 5.541678e-10 5.473435000000001e-10 5.401907e-10 5.326763e-10 5.247617e-10 5.164019e-10 5.075438000000001e-10 4.981241e-10 4.880669e-10 4.772796e-10 4.656477e-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" [ 1.54514 2.31607 2.99362 3.61462 4.19507 4.73882 5.25177 5.73395 6.18687 6.61145 7.00862 7.37917 7.72208 8.03722 8.32552 8.58652 8.81872 9.02164 9.19476 9.33751 9.44931 9.52952 9.57891 9.59559 9.57677 9.51383 9.39513 9.20677 8.92925 8.53835 8.00287 7.2821 6.32253 5.05371 3.37985 1.17166 -1.74674 -5.62601 -10.8185 -17.829 -27.4077 -40.6818 -59.4048 -86.3653 -126.166 -186.722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.47558720425876e-19 3.7107532367083795e-19 4.7963080150750795e-19 5.791259704789079e-19 6.72124313199438e-19 7.592426676731879e-19 8.414263181142179e-19 9.186800710524299e-19 9.912458551595579e-19 1.0592710706859299e-18 1.1229047200585078e-18 1.182273375231378e-18 1.237213614187872e-18 1.2877046086317478e-18 1.3338953609899679e-18 1.375712171137368e-18 1.4129147125788481e-18 1.4454260808359758e-18 1.473162962723784e-18 1.4960340341741338e-18 1.513946368942254e-18 1.5267974277235679e-18 1.534710578118894e-18 1.5373830087444059e-18 1.5343677123192179e-18 1.5242836125848219e-18 1.5052657759392418e-18 1.475087176861218e-18 1.4306235709144498e-18 1.3679944862913899e-18 1.282201131893958e-18 1.1667210466451399e-18 1.012980983376402e-18 8.096936077012139e-19 5.4151166964249e-19 1.8772062749924399e-19 -2.7985860136731596e-19 -9.013861764650338e-19 -1.7333147914929e-18 -2.8565207207586e-18 -4.391197653168179e-18 -6.51794293890612e-18 -9.517698250744319e-18 -1.383724656484002e-17 -2.0214021720524397e-17 -2.99161625453748e-17 ] } }