{ "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" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.240321 0 0 ] [ 0 0 0.759679 ] [ 0.759679 0 0 ] [ 0 0.240321 0 ] [ 0 0.759679 0 ] [ 0 0 0.240321 ] [ 0.240321 0.5 0.5 ] [ 0 0.5 0.259679 ] [ 0.759679 0.5 0.5 ] [ 0 0.740321 0.5 ] [ 0 0.259679 0.5 ] [ 0 0.5 0.740321 ] [ 0.740321 0 0.5 ] [ 0.5 0 0.259679 ] [ 0.259679 0 0.5 ] [ 0.5 0.240321 0.5 ] [ 0.5 0.759679 0.5 ] [ 0.5 0 0.740321 ] [ 0.740321 0.5 0 ] [ 0.5 0.5 0.759679 ] [ 0.259679 0.5 0 ] [ 0.5 0.740321 0 ] [ 0.5 0.259679 0 ] [ 0.5 0.5 0.240321 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" "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" 8.72400486799 "source-unit" "angstrom" } }