{ "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" [ [ 0.032221 0 0.813423 ] [ 0.133813 0.5 0.48939 ] [ 0.967779 0 0.186577 ] [ 0.807555 0.5 0.860967 ] [ 0.866187 0.5 0.51061 ] [ 0.192445 0.5 0.139033 ] [ 0.532221 0.5 0.813423 ] [ 0.633813 0 0.48939 ] [ 0.467779 0.5 0.186577 ] [ 0.307555 0 0.860967 ] [ 0.366187 0 0.51061 ] [ 0.692445 0 0.139033 ] [ 0.870669 0 0.714682 ] [ 0.97342 0.5 0.34352 ] [ 0.797942 0 0.373985 ] [ 0.202058 0 0.626015 ] [ 0 0.5 0 ] [ 0.129331 0 0.285318 ] [ 0.174869 0 0.973271 ] [ 0.825131 0 0.026729 ] [ 0.02658 0.5 0.65648 ] [ 0.370669 0.5 0.714682 ] [ 0.47342 0 0.34352 ] [ 0.297942 0.5 0.373985 ] [ 0.702058 0.5 0.626015 ] [ 0.5 0 0 ] [ 0.629331 0.5 0.285318 ] [ 0.674869 0.5 0.973271 ] [ 0.325131 0.5 0.026729 ] [ 0.52658 0 0.65648 ] ] } "species" { "source-value" [ "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "O" "O" "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" 14.4808177956 "source-unit" "angstrom" } "b" { "source-value" 3.65504884 "source-unit" "angstrom" } "c" { "source-value" 8.97328171608 "source-unit" "angstrom" } "beta" { "source-value" 100.286914964 "source-unit" "degree" } }