{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.000074 ] [ 0.666667 0.333333 0.333407 ] [ 0.333333 0.666667 0.66674 ] [ 0 0 0.486762 ] [ 0.666667 0.333333 0.820095 ] [ 0.333333 0.666667 0.153428 ] [ 0.150891 0.301782 0.352388 ] [ 0.817558 0.635115 0.685722 ] [ 0.484224 0.968449 0.019055 ] [ 0.150891 0.849109 0.352388 ] [ 0.817558 0.182442 0.685722 ] [ 0.484224 0.515776 0.019055 ] [ 0.698218 0.849109 0.352388 ] [ 0.364885 0.182442 0.685722 ] [ 0.031551 0.515776 0.019055 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Ge" "Ge" "Ge" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 7.79338619966 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }