{ "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" [ [ 0.848069 0.5 0.701114 ] [ 0.853623 0.5 0.127316 ] [ 0.151931 0.5 0.298886 ] [ 0.146377 0.5 0.872684 ] [ 0.348069 0 0.701114 ] [ 0.353623 0 0.127316 ] [ 0.651931 0 0.298886 ] [ 0.646377 0 0.872684 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.811182 0 0.173801 ] [ 0.849929 0 0.627827 ] [ 0.188818 0 0.826199 ] [ 0.150071 0 0.372173 ] [ 0.5 0 0 ] [ 0.311182 0.5 0.173801 ] [ 0.349929 0.5 0.627827 ] [ 0.688818 0.5 0.826199 ] [ 0.650071 0.5 0.372173 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "O" "O" "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" 9.92251261 "source-unit" "angstrom" } "b" { "source-value" 3.8052922 "source-unit" "angstrom" } "c" { "source-value" 6.33924323 "source-unit" "angstrom" } "beta" { "source-value" 111.15551113 "source-unit" "degree" } }