{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.244913 0 0.87324 ] [ 0.227649 0.5 0.620889 ] [ 0.772351 0.5 0.379111 ] [ 0.755087 0 0.12676 ] [ 0.736855 0.244497 0.744105 ] [ 0.736855 0.755503 0.744105 ] [ 0.5 0 0.5 ] [ 0.263145 0.244497 0.255895 ] [ 0.263145 0.755503 0.255895 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.519216 0.5 0.780386 ] [ 0.947896 0.5 0.775396 ] [ 0.508618 0 0.723961 ] [ 0.917062 0 0.778052 ] [ 0.717616 0.767629 0.54303 ] [ 0.717616 0.232371 0.54303 ] [ 0.282384 0.767629 0.45697 ] [ 0.282384 0.232371 0.45697 ] [ 0.082938 0 0.221948 ] [ 0.052104 0.5 0.224604 ] [ 0.480784 0.5 0.219614 ] [ 0.491382 0 0.276039 ] [ 0.250358 0.292998 0.010642 ] [ 0.250358 0.707002 0.010642 ] [ 0.749642 0.707002 0.989358 ] [ 0.749642 0.292998 0.989358 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "O" "O" "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" 6.17435513 "source-unit" "angstrom" } "b" { "source-value" 6.08497783 "source-unit" "angstrom" } "c" { "source-value" 9.02608167 "source-unit" "angstrom" } "beta" { "source-value" 93.53451298 "source-unit" "degree" } }