{ "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" [ [ 0.745213 0 0.759653 ] [ 0.25 0.25 0.5 ] [ 0 0.745187 0 ] [ 0 0.254813 0 ] [ 0.254787 0 0.240347 ] [ 0.75 0.25 0.5 ] [ 0.245213 0.5 0.759653 ] [ 0.75 0.75 0.5 ] [ 0.5 0.245187 0 ] [ 0.5 0.754813 0 ] [ 0.754787 0.5 0.240347 ] [ 0.25 0.75 0.5 ] [ 0.012023 0 0.263664 ] [ 0.987977 0 0.736336 ] [ 0.501579 0 0.250656 ] [ 0.498421 0 0.749344 ] [ 0.512023 0.5 0.263664 ] [ 0.487977 0.5 0.736336 ] [ 0.001579 0.5 0.250656 ] [ 0.998421 0.5 0.749344 ] [ 0.232601 0.234101 0.757262 ] [ 0.732601 0.265899 0.757262 ] [ 0.767399 0.765899 0.242738 ] [ 0.267399 0.734101 0.242738 ] [ 0.732601 0.734101 0.757262 ] [ 0.232601 0.765899 0.757262 ] [ 0.267399 0.265899 0.242738 ] [ 0.767399 0.234101 0.242738 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 11.5006200115 "source-unit" "angstrom" } "b" { "source-value" 8.17512234927 "source-unit" "angstrom" } "c" { "source-value" 7.85439408682 "source-unit" "angstrom" } "beta" { "source-value" 135.544138743 "source-unit" "degree" } }