{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.210579 0 0 ] [ 0 0 0.210579 ] [ 0 0.789421 0 ] [ 0 0.210579 0 ] [ 0 0 0.789421 ] [ 0.789421 0 0 ] [ 0.210579 0.5 0.5 ] [ 0 0.5 0.710579 ] [ 0 0.289421 0.5 ] [ 0 0.710579 0.5 ] [ 0 0.5 0.289421 ] [ 0.789421 0.5 0.5 ] [ 0.710579 0 0.5 ] [ 0.5 0 0.710579 ] [ 0.5 0.789421 0.5 ] [ 0.5 0.210579 0.5 ] [ 0.5 0 0.289421 ] [ 0.289421 0 0.5 ] [ 0.710579 0.5 0 ] [ 0.5 0.5 0.210579 ] [ 0.5 0.289421 0 ] [ 0.5 0.710579 0 ] [ 0.5 0.5 0.789421 ] [ 0.289421 0.5 0 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "As" "As" "As" "As" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.45271476892 "source-unit" "angstrom" } }