{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.33298 4.042654 3.862721 3.73199 3.629252 3.544607 3.472627 3.41001 3.354599 3.304905 3.259858 3.218662 3.180711 3.145531 3.112744 3.082045 3.053184 3.025954 3.000181 2.975715 2.952431 2.93022 2.908987 2.88865 2.874805 2.860234 2.844856 2.828577 2.811284 2.792843 2.773091 2.751826 2.728797 2.703686 2.676077 2.645419 2.610954 2.571599 2.525735 2.470773 2.402188 2.31092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3329800000000003e-10 4.0426539999999997e-10 3.862721e-10 3.73199e-10 3.6292520000000003e-10 3.544607e-10 3.4726270000000003e-10 3.41001e-10 3.354599e-10 3.304905e-10 3.259858e-10 3.218662e-10 3.180711e-10 3.145531e-10 3.112744e-10 3.082045e-10 3.053184e-10 3.025954e-10 3.0001810000000003e-10 2.975715e-10 2.952431e-10 2.93022e-10 2.9089870000000005e-10 2.88865e-10 2.874805e-10 2.860234e-10 2.844856e-10 2.8285770000000004e-10 2.811284e-10 2.792843e-10 2.773091e-10 2.751826e-10 2.728797e-10 2.703686e-10 2.676077e-10 2.645419e-10 2.610954e-10 2.571599e-10 2.525735e-10 2.470773e-10 2.4021880000000006e-10 2.31092e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.000131903 0.519314 1.37498 2.08463 2.54943 2.78847 2.91061 3.02967 3.16262 3.30459 3.44952 3.5907 3.72212 3.83924 3.93913 4.02035 4.08262 4.1265 4.15311 4.16751 4.17592 4.17866 4.17733 4.17296 4.16484 4.15209 4.13357 4.1078 4.0728 4.02595 3.96363 3.88076 3.77003 3.62055 3.41546 3.12732 2.70852 2.0693 1.01893 -1.13953 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.1133190455450198e-23 8.32032756509076e-20 2.20296082821732e-19 3.33994547653542e-19 4.08463717601862e-19 4.467621478609979e-19 4.66331133268674e-19 4.854066482730779e-19 5.067075866221079e-19 5.29453688295006e-19 5.5267403425156795e-19 5.7529356397038e-19 5.963493692944079e-19 6.15114062031816e-19 6.31118204428842e-19 6.441310830501899e-19 6.54107836950108e-19 6.611381880201e-19 6.654015800431739e-19 6.67708714396134e-19 6.690561449453279e-19 6.6949514134304395e-19 6.69282051850722e-19 6.68581900661664e-19 6.672809332348559e-19 6.65238158026506e-19 6.622709269003379e-19 6.5814211771452e-19 6.5253449949552e-19 6.450283019652299e-19 6.35043537182142e-19 6.21766299416184e-19 6.04025397547902e-19 5.8007606122287e-19 5.472170206361639e-19 5.01051903104088e-19 4.33952745672168e-19 3.3153841087362e-19 1.6325058376816197e-19 -1.8257283397420199e-19 ] } }