{ "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" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.13971 0 0.934352 ] [ 0.86029 0 0.065648 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.63971 0.5 0.934352 ] [ 0.36029 0.5 0.065648 ] [ 0.75 0.75 0.5 ] [ 0.264163 0 0.312857 ] [ 0.735837 0 0.687143 ] [ 0.764163 0.5 0.312857 ] [ 0.235837 0.5 0.687143 ] [ 0.733732 0 0.224793 ] [ 0.995292 0.733333 0.236618 ] [ 0.004708 0.266667 0.763382 ] [ 0.004708 0.733333 0.763382 ] [ 0.266268 0 0.775207 ] [ 0.995292 0.266667 0.236618 ] [ 0.233732 0.5 0.224793 ] [ 0.495292 0.233333 0.236618 ] [ 0.504708 0.766667 0.763382 ] [ 0.504708 0.233333 0.763382 ] [ 0.766268 0.5 0.775207 ] [ 0.495292 0.766667 0.236618 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.71247091 "source-unit" "angstrom" } "b" { "source-value" 6.38564303 "source-unit" "angstrom" } "c" { "source-value" 6.36852984 "source-unit" "angstrom" } "beta" { "source-value" 124.41863854 "source-unit" "degree" } }