{ "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" [ [ 0.5 0 0.5 ] [ 0 0.84421 0.5 ] [ 0.5 0.65579 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.34421 0.5 ] [ 0 0.15579 0.5 ] [ 0 0 0 ] [ 0 0.669741 0 ] [ 0.5 0.830259 0 ] [ 0.5 0.169741 0 ] [ 0 0.330259 0 ] [ 0.255886 0.814833 0.19982 ] [ 0.244114 0.685167 0.80018 ] [ 0.308079 0 0.799051 ] [ 0.755886 0.685167 0.19982 ] [ 0.744114 0.814833 0.80018 ] [ 0.691921 0 0.200949 ] [ 0.755886 0.314833 0.19982 ] [ 0.744114 0.185167 0.80018 ] [ 0.808079 0.5 0.799051 ] [ 0.255886 0.185167 0.19982 ] [ 0.244114 0.314833 0.80018 ] [ 0.191921 0.5 0.200949 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 5.28854238 "source-unit" "angstrom" } "b" { "source-value" 9.1650157 "source-unit" "angstrom" } "c" { "source-value" 5.6991263 "source-unit" "angstrom" } "beta" { "source-value" 108.63619327 "source-unit" "degree" } }