{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.674823 0 0.294072 ] [ 0.054214 0 0.923706 ] [ 0.948237 0 0.00185 ] [ 0.289555 0.5 0.141034 ] [ 0.541072 0 0.393678 ] [ 0.330304 0 0.635069 ] [ 0.174823 0.5 0.294072 ] [ 0.554214 0.5 0.923706 ] [ 0.448237 0.5 0.00185 ] [ 0.789555 0 0.141034 ] [ 0.041072 0.5 0.393678 ] [ 0.830304 0.5 0.635069 ] [ 0.000457 0 0.965686 ] [ 0.500457 0.5 0.965686 ] [ 0.74956 0 0.232768 ] [ 0.484886 0 0.45274 ] [ 0.237637 0 0.704396 ] [ 0.24956 0.5 0.232768 ] [ 0.984886 0.5 0.45274 ] [ 0.737637 0.5 0.704396 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 26.7143977427 "source-unit" "angstrom" } "b" { "source-value" 3.7430979177 "source-unit" "angstrom" } "c" { "source-value" 13.5289073711 "source-unit" "angstrom" } "beta" { "source-value" 166.187135713 "source-unit" "degree" } }