{ "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 8.4253 7.860774 7.510904 7.256705 7.056935 6.892347 6.752385 6.63063 6.522886 6.426258 6.338666 6.258563 6.184769 6.116362 6.052609 5.992917 5.936799 5.883852 5.833736 5.786163 5.740889 5.6977 5.656414 5.61687 5.589949 5.561616 5.531715 5.50006 5.466436 5.430578 5.39217 5.350821 5.306043 5.257215 5.203531 5.143918 5.076902 5.000378 4.911198 4.804327 4.670967 4.4935 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.4253e-10 7.860774e-10 7.510904000000001e-10 7.256705000000001e-10 7.056935e-10 6.892347000000001e-10 6.752385000000001e-10 6.63063e-10 6.522886e-10 6.426258e-10 6.338666000000001e-10 6.258563e-10 6.184769000000001e-10 6.116362e-10 6.052609e-10 5.992917e-10 5.936799e-10 5.883852e-10 5.833736e-10 5.786163000000001e-10 5.740889e-10 5.697700000000001e-10 5.656414e-10 5.61687e-10 5.589949e-10 5.561616e-10 5.531715e-10 5.50006e-10 5.466436e-10 5.430578e-10 5.39217e-10 5.350821e-10 5.306043e-10 5.257215000000001e-10 5.203531e-10 5.143918000000001e-10 5.076902e-10 5.000378000000001e-10 4.911198e-10 4.804327e-10 4.670967000000001e-10 4.4935e-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" [ 0.578871 0.778185 0.927016 1.04437 1.14037 1.22483 1.29722 1.3596 1.41362 1.46053 1.50197 1.53792 1.56895 1.59556 1.61815 1.63705 1.65377 1.66946 1.6823 1.69247 1.70015 1.70548 1.70859 1.7096 1.70911 1.70759 1.70485 1.70045 1.69398 1.68492 1.67257 1.65601 1.63396 1.60465 1.56812 1.51877 1.45081 1.35511 1.21861 1.01091 0.673026 0.0536813 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.274535826591169e-20 1.246789813657248e-19 1.4852433623075328e-19 1.6732651974648962e-19 1.8270741530616962e-19 1.9623939904544642e-19 2.0783755560341762e-19 2.17831933363968e-19 2.2648689146952965e-19 2.3400270199770243e-19 2.406421219142976e-19 2.464019468660736e-19 2.5137350092041603e-19 2.556368929083648e-19 2.59256209894752e-19 2.62284323708064e-19 2.649631630180416e-19 2.6747697813607683e-19 2.69534172917184e-19 2.711635865405376e-19 2.7239405818531204e-19 2.7324801832419843e-19 2.737462952532672e-19 2.73908115091968e-19 2.738296084375488e-19 2.735860775911872e-19 2.73147081197088e-19 2.72442123483936e-19 2.714055152102784e-19 2.699539431918336e-19 2.679752550651456e-19 2.6532205058110083e-19 2.617892511322368e-19 2.57093271456672e-19 2.512405202608896e-19 2.433337786372416e-19 2.324453863222848e-19 2.171125560612288e-19 1.9524284518730882e-19 1.6196563677329282e-19 1.0783065223905408e-19 8.600692383415104e-21 ] } }