{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.181318 0.232616 0.390735 ] [ 0.818682 0.232616 0.109265 ] [ 0.818682 0.767384 0.609265 ] [ 0.181318 0.767384 0.890735 ] [ 0.681318 0.732616 0.390735 ] [ 0.318682 0.732616 0.109265 ] [ 0.318682 0.267384 0.609265 ] [ 0.681318 0.267384 0.890735 ] [ 0 0.304488 0.75 ] [ 0 0.695512 0.25 ] [ 0.5 0.804488 0.75 ] [ 0.5 0.195512 0.25 ] [ 0.069278 0.411104 0.426 ] [ 0.930722 0.411104 0.074 ] [ 0.930722 0.588896 0.574 ] [ 0.069278 0.588896 0.926 ] [ 0.139858 0.975715 0.619006 ] [ 0.860142 0.975715 0.880994 ] [ 0.215986 0.519299 0.168795 ] [ 0.784014 0.519299 0.331205 ] [ 0.784014 0.480701 0.831205 ] [ 0.215986 0.480701 0.668795 ] [ 0.139858 0.024285 0.119006 ] [ 0.860142 0.024285 0.380994 ] [ 0.569278 0.911104 0.426 ] [ 0.430722 0.911104 0.074 ] [ 0.430722 0.088896 0.574 ] [ 0.569278 0.088896 0.926 ] [ 0.639858 0.475715 0.619006 ] [ 0.360142 0.475715 0.880994 ] [ 0.715986 0.019299 0.168795 ] [ 0.284014 0.019299 0.331205 ] [ 0.284014 0.980701 0.831205 ] [ 0.715986 0.980701 0.668795 ] [ 0.639858 0.524285 0.119006 ] [ 0.360142 0.524285 0.380994 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "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" 16.2600433155 "source-unit" "angstrom" } "b" { "source-value" 4.98489396377 "source-unit" "angstrom" } "c" { "source-value" 5.56559823208 "source-unit" "angstrom" } "beta" { "source-value" 91.2835055562 "source-unit" "degree" } }