{ "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" [ [ 0.250352 0 0.999715 ] [ 0.749648 0 0.000285 ] [ 0.5 0.248812 0 ] [ 0.5 0.751188 0 ] [ 0.750352 0.5 0.999715 ] [ 0.249648 0.5 0.000285 ] [ 0 0.748812 0 ] [ 0 0.251188 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.128865 0 0.27276 ] [ 0.617363 0.75868 0.721342 ] [ 0.624146 0 0.279846 ] [ 0.617363 0.24132 0.721342 ] [ 0.882637 0.74132 0.278658 ] [ 0.871135 0 0.72724 ] [ 0.882637 0.25868 0.278658 ] [ 0.375854 0 0.720154 ] [ 0.628865 0.5 0.27276 ] [ 0.117363 0.25868 0.721342 ] [ 0.124146 0.5 0.279846 ] [ 0.117363 0.74132 0.721342 ] [ 0.382637 0.24132 0.278658 ] [ 0.371135 0.5 0.72724 ] [ 0.382637 0.75868 0.278658 ] [ 0.875854 0.5 0.720154 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.16221157 "source-unit" "angstrom" } "b" { "source-value" 5.86831559 "source-unit" "angstrom" } "c" { "source-value" 5.11243339 "source-unit" "angstrom" } "beta" { "source-value" 109.34576362 "source-unit" "degree" } }