{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.371343 0.75 ] [ 0.5 0.380992 0.75 ] [ 0 0.119008 0.25 ] [ 0 0.628657 0.25 ] [ 0.5 0.871343 0.75 ] [ 0 0.880992 0.75 ] [ 0.5 0.619008 0.25 ] [ 0.5 0.128657 0.25 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.104705 0.623705 0.666986 ] [ 0.099887 0.12632 0.641052 ] [ 0.400113 0.37368 0.358948 ] [ 0.104705 0.376295 0.166986 ] [ 0.395295 0.876295 0.333014 ] [ 0.099887 0.87368 0.141052 ] [ 0.400113 0.62632 0.858948 ] [ 0.395295 0.123705 0.833014 ] [ 0.604705 0.123705 0.666986 ] [ 0.599887 0.62632 0.641052 ] [ 0.900113 0.87368 0.358948 ] [ 0.604705 0.876295 0.166986 ] [ 0.895295 0.376295 0.333014 ] [ 0.599887 0.37368 0.141052 ] [ 0.900113 0.12632 0.858948 ] [ 0.895295 0.623705 0.833014 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "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" 11.30516625 "source-unit" "angstrom" } "b" { "source-value" 5.96952055 "source-unit" "angstrom" } "c" { "source-value" 5.12138251 "source-unit" "angstrom" } "beta" { "source-value" 106.44449299 "source-unit" "degree" } }