{ "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" [ [ 0.140202 0 0.472626 ] [ 0.859798 0 0.527374 ] [ 0.640202 0.5 0.472626 ] [ 0.359798 0.5 0.527374 ] [ 0.249225 0.5 0.753153 ] [ 0.750775 0.5 0.246847 ] [ 0.749225 0 0.753153 ] [ 0.250775 0 0.246847 ] [ 0.137564 0.5 0.968185 ] [ 0.862436 0.5 0.031815 ] [ 0.637564 0 0.968185 ] [ 0.362436 0 0.031815 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Rh" "Rh" "Rh" "Rh" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.6105716298 "source-unit" "angstrom" } "b" { "source-value" 3.71958596674 "source-unit" "angstrom" } "c" { "source-value" 6.75683978897 "source-unit" "angstrom" } "beta" { "source-value" 117.652790732 "source-unit" "degree" } }