{ "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" [ [ 0.029726 0.5 0.724635 ] [ 0.826469 0 0.409115 ] [ 0.207087 0.5 0.070169 ] [ 0.173531 0 0.590885 ] [ 0.970274 0.5 0.275365 ] [ 0.792913 0.5 0.929831 ] [ 0.529726 0 0.724635 ] [ 0.326469 0.5 0.409115 ] [ 0.707087 0 0.070169 ] [ 0.673531 0.5 0.590885 ] [ 0.470274 0 0.275365 ] [ 0.292913 0 0.929831 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.854387 0 0.749368 ] [ 0.145613 0 0.250632 ] [ 0.354387 0.5 0.749368 ] [ 0.645613 0.5 0.250632 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1290843042 "source-unit" "angstrom" } "b" { "source-value" 5.4998735 "source-unit" "angstrom" } "c" { "source-value" 9.41209362124 "source-unit" "angstrom" } "beta" { "source-value" 97.8792490936 "source-unit" "degree" } }