{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.375 0.125 0.875 ] [ 0.875 0.375 0.125 ] [ 0.125 0.375 0.875 ] [ 0.125 0.125 0.625 ] [ 0.375 0.625 0.375 ] [ 0.875 0.875 0.625 ] [ 0.125 0.875 0.375 ] [ 0.125 0.625 0.125 ] [ 0.875 0.125 0.375 ] [ 0.375 0.375 0.625 ] [ 0.625 0.375 0.375 ] [ 0.625 0.125 0.125 ] [ 0.875 0.625 0.875 ] [ 0.375 0.875 0.125 ] [ 0.625 0.875 0.875 ] [ 0.625 0.625 0.625 ] [ 0.161919 0.338081 0.161919 ] [ 0.161919 0.161919 0.338081 ] [ 0.338081 0.161919 0.161919 ] [ 0.838081 0.338081 0.838081 ] [ 0.088081 0.911919 0.088081 ] [ 0.088081 0.088081 0.911919 ] [ 0.911919 0.088081 0.088081 ] [ 0.411919 0.911919 0.411919 ] [ 0.161919 0.838081 0.661919 ] [ 0.161919 0.661919 0.838081 ] [ 0.338081 0.661919 0.661919 ] [ 0.838081 0.838081 0.338081 ] [ 0.088081 0.411919 0.588081 ] [ 0.088081 0.588081 0.411919 ] [ 0.911919 0.588081 0.588081 ] [ 0.411919 0.411919 0.911919 ] [ 0.661919 0.338081 0.661919 ] [ 0.661919 0.161919 0.838081 ] [ 0.838081 0.161919 0.661919 ] [ 0.338081 0.338081 0.338081 ] [ 0.588081 0.911919 0.588081 ] [ 0.588081 0.088081 0.411919 ] [ 0.411919 0.088081 0.588081 ] [ 0.911919 0.911919 0.911919 ] [ 0.661919 0.838081 0.161919 ] [ 0.661919 0.661919 0.338081 ] [ 0.838081 0.661919 0.161919 ] [ 0.338081 0.838081 0.838081 ] [ 0.588081 0.411919 0.088081 ] [ 0.588081 0.588081 0.911919 ] [ 0.411919 0.588081 0.088081 ] [ 0.911919 0.411919 0.411919 ] [ 0.57399 0.92601 0.07399 ] [ 0.07399 0.07399 0.42601 ] [ 0.42601 0.07399 0.07399 ] [ 0.42601 0.92601 0.92601 ] [ 0.67601 0.32399 0.17601 ] [ 0.17601 0.17601 0.82399 ] [ 0.82399 0.17601 0.17601 ] [ 0.82399 0.32399 0.32399 ] [ 0.25 0.93563 0.75 ] [ 0.25 0.06437 0.25 ] [ 0.93563 0.25 0.75 ] [ 0.06437 0.25 0.25 ] [ 0.75 0.25 0.93563 ] [ 0.25 0.25 0.06437 ] [ 0 0.31437 0.5 ] [ 0 0.18563 0 ] [ 0.31437 0 0.5 ] [ 0.18563 0 0 ] [ 0.5 0 0.31437 ] [ 0 0 0.18563 ] [ 0.57399 0.42601 0.57399 ] [ 0.07399 0.57399 0.92601 ] [ 0.42601 0.57399 0.57399 ] [ 0.42601 0.42601 0.42601 ] [ 0.67601 0.82399 0.67601 ] [ 0.17601 0.67601 0.32399 ] [ 0.82399 0.67601 0.67601 ] [ 0.82399 0.82399 0.82399 ] [ 0.25 0.43563 0.25 ] [ 0.25 0.56437 0.75 ] [ 0.93563 0.75 0.25 ] [ 0.06437 0.75 0.75 ] [ 0.75 0.75 0.43563 ] [ 0.25 0.75 0.56437 ] [ 0 0.81437 0 ] [ 0 0.68563 0.5 ] [ 0.31437 0.5 0 ] [ 0.18563 0.5 0.5 ] [ 0.5 0.5 0.81437 ] [ 0 0.5 0.68563 ] [ 0.07399 0.92601 0.57399 ] [ 0.57399 0.07399 0.92601 ] [ 0.92601 0.07399 0.57399 ] [ 0.92601 0.92601 0.42601 ] [ 0.17601 0.32399 0.67601 ] [ 0.67601 0.17601 0.32399 ] [ 0.32399 0.17601 0.67601 ] [ 0.32399 0.32399 0.82399 ] [ 0.75 0.93563 0.25 ] [ 0.75 0.06437 0.75 ] [ 0.43563 0.25 0.25 ] [ 0.56437 0.25 0.75 ] [ 0.25 0.25 0.43563 ] [ 0.75 0.25 0.56437 ] [ 0.5 0.31437 0 ] [ 0.5 0.18563 0.5 ] [ 0.81437 0 0 ] [ 0.68563 0 0.5 ] [ 0 0 0.81437 ] [ 0.5 0 0.68563 ] [ 0.07399 0.42601 0.07399 ] [ 0.57399 0.57399 0.42601 ] [ 0.92601 0.57399 0.07399 ] [ 0.92601 0.42601 0.92601 ] [ 0.17601 0.82399 0.17601 ] [ 0.67601 0.67601 0.82399 ] [ 0.32399 0.67601 0.17601 ] [ 0.32399 0.82399 0.32399 ] [ 0.75 0.43563 0.75 ] [ 0.75 0.56437 0.25 ] [ 0.43563 0.75 0.75 ] [ 0.56437 0.75 0.25 ] [ 0.25 0.75 0.93563 ] [ 0.75 0.75 0.06437 ] [ 0.5 0.81437 0.5 ] [ 0.5 0.68563 0 ] [ 0.81437 0.5 0.5 ] [ 0.68563 0.5 0 ] [ 0 0.5 0.31437 ] [ 0.5 0.5 0.18563 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 15.334207 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.4670152159375 "source-unit" "eV" } }