{ "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" [ [ 0.364127 0 0.801826 ] [ 0.635873 0 0.198174 ] [ 0.864127 0.5 0.801826 ] [ 0.135873 0.5 0.198174 ] [ 0 0 0 ] [ 0.196212 0 0.366247 ] [ 0.803788 0 0.633753 ] [ 0.5 0.5 0 ] [ 0.696212 0.5 0.366247 ] [ 0.303788 0.5 0.633753 ] [ 0.882056 0.756143 0.150767 ] [ 0.30254 0 0.607286 ] [ 0.117944 0.756143 0.849233 ] [ 0.882056 0.243857 0.150767 ] [ 0.69746 0 0.392714 ] [ 0.117944 0.243857 0.849233 ] [ 0.382056 0.256143 0.150767 ] [ 0.80254 0.5 0.607286 ] [ 0.617944 0.256143 0.849233 ] [ 0.382056 0.743857 0.150767 ] [ 0.19746 0.5 0.392714 ] [ 0.617944 0.743857 0.849233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 5.46301977 "source-unit" "angstrom" } "b" { "source-value" 5.42617092 "source-unit" "angstrom" } "c" { "source-value" 9.83220212 "source-unit" "angstrom" } "beta" { "source-value" 100.92510409 "source-unit" "degree" } }