{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.027195 0.25 0.173231 ] [ 0.972805 0.75 0.826769 ] [ 0.6142 0.25 0.856419 ] [ 0.3858 0.75 0.143581 ] [ 0.812659 0.25 0.440934 ] [ 0.187341 0.75 0.559066 ] [ 0.752792 0.75 0.152689 ] [ 0.57888 0.75 0.555055 ] [ 0.247208 0.25 0.847311 ] [ 0.42112 0.25 0.444945 ] [ 0.182007 0.25 0.999209 ] [ 0.817993 0.75 0.000791 ] [ 0.071014 0.25 0.676033 ] [ 0.928986 0.75 0.323967 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.7256664116 "source-unit" "angstrom" } "b" { "source-value" 4.10656791 "source-unit" "angstrom" } "c" { "source-value" 10.2360591497 "source-unit" "angstrom" } "beta" { "source-value" 113.655747169 "source-unit" "degree" } }