{ "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" [ [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.69012 0 0 ] [ 0.30988 0 0 ] [ 0.5 0.80988 0 ] [ 0 0 0.69012 ] [ 0.5 0.19012 0 ] [ 0 0 0.30988 ] [ 0.69012 0.5 0.5 ] [ 0.30988 0.5 0.5 ] [ 0.5 0.30988 0.5 ] [ 0 0.5 0.19012 ] [ 0.5 0.69012 0.5 ] [ 0 0.5 0.80988 ] [ 0.19012 0 0.5 ] [ 0.80988 0 0.5 ] [ 0 0.80988 0.5 ] [ 0.5 0 0.19012 ] [ 0 0.19012 0.5 ] [ 0.5 0 0.80988 ] [ 0.19012 0.5 0 ] [ 0.80988 0.5 0 ] [ 0 0.30988 0 ] [ 0.5 0.5 0.69012 ] [ 0 0.69012 0 ] [ 0.5 0.5 0.30988 ] [ 0.807507 0 0 ] [ 0.192493 0 0 ] [ 0 0.192493 0 ] [ 0 0 0.807507 ] [ 0 0.807507 0 ] [ 0 0 0.192493 ] [ 0.807507 0.5 0.5 ] [ 0.192493 0.5 0.5 ] [ 0 0.692493 0.5 ] [ 0 0.5 0.307507 ] [ 0 0.307507 0.5 ] [ 0 0.5 0.692493 ] [ 0.307507 0 0.5 ] [ 0.692493 0 0.5 ] [ 0.5 0.192493 0.5 ] [ 0.5 0 0.307507 ] [ 0.5 0.807507 0.5 ] [ 0.5 0 0.692493 ] [ 0.307507 0.5 0 ] [ 0.692493 0.5 0 ] [ 0.5 0.692493 0 ] [ 0.5 0.5 0.807507 ] [ 0.5 0.307507 0 ] [ 0.5 0.5 0.192493 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "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" 10.10871553 "source-unit" "angstrom" } }