{ "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 ] [ 0.877031 0 0.204726 ] [ 0.119981 0.5 0.281798 ] [ 0.880019 0.5 0.718202 ] [ 0.122969 0 0.795274 ] [ 0.377031 0.5 0.204726 ] [ 0.619981 0 0.281798 ] [ 0.380019 0 0.718202 ] [ 0.622969 0.5 0.795274 ] ] } "species" { "source-value" [ "Ti" "Ti" "Nb" "Nb" "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" 13.586508485 "source-unit" "angstrom" } "b" { "source-value" 3.38541265 "source-unit" "angstrom" } "c" { "source-value" 5.88204473758 "source-unit" "angstrom" } "beta" { "source-value" 115.411400645 "source-unit" "degree" } }