{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.404228 ] [ 0 0 0.595772 ] [ 0 0 0.904035 ] [ 0.5 0.5 0.095965 ] [ 0 0 0.260015 ] [ 0.5 0.5 0.739985 ] [ 0.5 0.255178 0.693825 ] [ 0 0.244822 0.306175 ] [ 0 0 0.160874 ] [ 0.5 0.5 0.839126 ] [ 0.5 0.744822 0.693825 ] [ 0 0.755178 0.306175 ] [ 0.5 0 0.006251 ] [ 0 0.5 0.993749 ] [ 0.5 0 0.48164 ] [ 0 0.5 0.51836 ] ] } "species" { "source-value" [ "Ca" "Ca" "Bi" "Bi" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.47323824 "source-unit" "angstrom" } "b" { "source-value" 4.55500259 "source-unit" "angstrom" } "c" { "source-value" 13.37820774 "source-unit" "angstrom" } }