{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.883783 0 0.538068 ] [ 0.12114 0.5 0.945626 ] [ 0.116217 0 0.461932 ] [ 0.87886 0.5 0.054374 ] [ 0.383783 0.5 0.538068 ] [ 0.62114 0 0.945626 ] [ 0.616217 0.5 0.461932 ] [ 0.37886 0 0.054374 ] ] } "species" { "source-value" [ "Nb" "Nb" "Ir" "Ir" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.5671213535 "source-unit" "angstrom" } "b" { "source-value" 3.48811072 "source-unit" "angstrom" } "c" { "source-value" 5.59098261574 "source-unit" "angstrom" } "beta" { "source-value" 112.090004273 "source-unit" "degree" } }