{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.102564 0 0.901114 ] [ 0.397436 0.5 0.098886 ] [ 0.602564 0.5 0.901114 ] [ 0.897436 0 0.098886 ] [ 0 0.5 0.5 ] [ 0.804406 0.5 0.701605 ] [ 0.195594 0.5 0.298395 ] [ 0.5 0 0.5 ] [ 0.304406 0 0.701605 ] [ 0.695594 0 0.298395 ] [ 0 0 0.5 ] [ 0.820162 0 0.721262 ] [ 0.11237 0.5 0.904381 ] [ 0.179838 0 0.278738 ] [ 0.38763 0 0.095619 ] [ 0.5 0.5 0.5 ] [ 0.320162 0.5 0.721262 ] [ 0.61237 0 0.904381 ] [ 0.679838 0.5 0.278738 ] [ 0.88763 0.5 0.095619 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.45793251 "source-unit" "angstrom" } "b" { "source-value" 4.68642021 "source-unit" "angstrom" } "c" { "source-value" 7.39402431 "source-unit" "angstrom" } "beta" { "source-value" 134.80588646 "source-unit" "degree" } }