{ "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" [ [ 0.139218 0.175272 0.873699 ] [ 0.139218 0.824728 0.873699 ] [ 0.860782 0.824728 0.126301 ] [ 0.860782 0.175272 0.126301 ] [ 0.639218 0.675272 0.873699 ] [ 0.639218 0.324728 0.873699 ] [ 0.360782 0.324728 0.126301 ] [ 0.360782 0.675272 0.126301 ] [ 0 0.315067 0.5 ] [ 0 0.684933 0.5 ] [ 0.5 0 0 ] [ 0.5 0.815067 0.5 ] [ 0.5 0.184933 0.5 ] [ 0 0.5 0 ] [ 0.118761 0 0.331105 ] [ 0.881239 0 0.668895 ] [ 0.618761 0.5 0.331105 ] [ 0.381239 0.5 0.668895 ] [ 0.784463 0.148983 0.790195 ] [ 0.192378 0 0.632533 ] [ 0.807622 0 0.367467 ] [ 0.215537 0.851017 0.209805 ] [ 0.215537 0.148983 0.209805 ] [ 0.784463 0.851017 0.790195 ] [ 0.284463 0.648983 0.790195 ] [ 0.692378 0.5 0.632533 ] [ 0.307622 0.5 0.367467 ] [ 0.715537 0.351017 0.209805 ] [ 0.715537 0.648983 0.209805 ] [ 0.284463 0.351017 0.790195 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.82471531921 "source-unit" "angstrom" } "b" { "source-value" 9.77743701347 "source-unit" "angstrom" } "c" { "source-value" 6.00784397564 "source-unit" "angstrom" } "beta" { "source-value" 90.48591288 "source-unit" "degree" } }