{ "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" [ [ 0.567179 0.25 0.204725 ] [ 0.432821 0.75 0.795275 ] [ 0.036182 0.75 0.275274 ] [ 0.963818 0.25 0.724726 ] [ 0.55135 0.75 0.088027 ] [ 0.163331 0.25 0.368239 ] [ 0.836669 0.75 0.631761 ] [ 0.44865 0.25 0.911973 ] [ 0.379282 0.25 0.050276 ] [ 0.25415 0.75 0.101752 ] [ 0.691461 0.948931 0.151144 ] [ 0.691461 0.551069 0.151144 ] [ 0.324375 0.063602 0.304727 ] [ 0.324375 0.436398 0.304727 ] [ 0.875241 0.25 0.310183 ] [ 0.832599 0.75 0.495886 ] [ 0.167401 0.25 0.504114 ] [ 0.124759 0.75 0.689817 ] [ 0.675625 0.936398 0.695273 ] [ 0.675625 0.563602 0.695273 ] [ 0.308539 0.448931 0.848856 ] [ 0.308539 0.051069 0.848856 ] [ 0.74585 0.25 0.898248 ] [ 0.620718 0.75 0.949724 ] ] } "species" { "source-value" [ "Ti" "Ti" "Sn" "Sn" "P" "P" "P" "P" "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" 5.07113933 "source-unit" "angstrom" } "b" { "source-value" 6.23760957 "source-unit" "angstrom" } "c" { "source-value" 10.93358721 "source-unit" "angstrom" } "beta" { "source-value" 91.68427158 "source-unit" "degree" } }