{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.802815 0 0 ] [ 0 0 0.802815 ] [ 0 0 0.197185 ] [ 0 0.197185 0 ] [ 0 0.802815 0 ] [ 0.197185 0 0 ] [ 0.302815 0.5 0.5 ] [ 0.5 0.5 0.302815 ] [ 0.5 0.5 0.697185 ] [ 0.5 0.697185 0.5 ] [ 0.5 0.302815 0.5 ] [ 0.697185 0.5 0.5 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.25 0 0.5 ] [ 0.211062 0.211062 0.788938 ] [ 0.211062 0.788938 0.211062 ] [ 0.788938 0.211062 0.211062 ] [ 0.788938 0.788938 0.788938 ] [ 0.25 0.5 0 ] [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.75 0.5 0 ] [ 0.711062 0.711062 0.288938 ] [ 0.711062 0.288938 0.711062 ] [ 0.288938 0.711062 0.711062 ] [ 0.288938 0.288938 0.288938 ] [ 0.75 0 0.5 ] [ 0.5 0.75 0 ] [ 0.871353 0.871353 0.360255 ] [ 0.128647 0.360255 0.128647 ] [ 0.360255 0.128647 0.128647 ] [ 0.639745 0.128647 0.871353 ] [ 0.128647 0.639745 0.871353 ] [ 0.871353 0.639745 0.128647 ] [ 0.639745 0.871353 0.128647 ] [ 0.871353 0.128647 0.639745 ] [ 0.128647 0.871353 0.639745 ] [ 0.128647 0.128647 0.360255 ] [ 0.360255 0.871353 0.871353 ] [ 0.871353 0.360255 0.871353 ] [ 0.371353 0.371353 0.860255 ] [ 0.628647 0.860255 0.628647 ] [ 0.860255 0.628647 0.628647 ] [ 0.139745 0.628647 0.371353 ] [ 0.628647 0.139745 0.371353 ] [ 0.371353 0.139745 0.628647 ] [ 0.139745 0.371353 0.628647 ] [ 0.371353 0.628647 0.139745 ] [ 0.628647 0.371353 0.139745 ] [ 0.628647 0.628647 0.860255 ] [ 0.860255 0.371353 0.371353 ] [ 0.371353 0.860255 0.371353 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 10.4433948552 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.607040784285714 "source-unit" "eV" } }