{ "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 0.5 0 ] [ 0.830962 0 0.672112 ] [ 0.669038 0.5 0.327888 ] [ 0.5 0 0 ] [ 0.330962 0.5 0.672112 ] [ 0.169038 0 0.327888 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.832112 0 0.162642 ] [ 0.667888 0.5 0.837358 ] [ 0.332112 0.5 0.162642 ] [ 0.167888 0 0.837358 ] [ 0.845835 0.5 0.411138 ] [ 0.666805 0 0.070089 ] [ 0.654165 0 0.588862 ] [ 0.998036 0 0.72025 ] [ 0.001964 0 0.27975 ] [ 0.833195 0.5 0.929911 ] [ 0.345835 0 0.411138 ] [ 0.166805 0.5 0.070089 ] [ 0.154165 0.5 0.588862 ] [ 0.498036 0.5 0.72025 ] [ 0.501964 0.5 0.27975 ] [ 0.333195 0 0.929911 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "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" 12.9283396 "source-unit" "angstrom" } "b" { "source-value" 2.88975126 "source-unit" "angstrom" } "c" { "source-value" 5.88518746 "source-unit" "angstrom" } "beta" { "source-value" 103.09560351 "source-unit" "degree" } }