{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.859794 0.359794 0.118087 ] [ 0.859794 0.359794 0.881913 ] [ 0.140206 0.640206 0.881913 ] [ 0.359794 0.140206 0.881913 ] [ 0.140206 0.640206 0.118087 ] [ 0.359794 0.140206 0.118087 ] [ 0.640206 0.859794 0.118087 ] [ 0.640206 0.859794 0.881913 ] [ 0.359794 0.859794 0.618087 ] [ 0.359794 0.859794 0.381913 ] [ 0.640206 0.140206 0.381913 ] [ 0.859794 0.640206 0.381913 ] [ 0.640206 0.140206 0.618087 ] [ 0.859794 0.640206 0.618087 ] [ 0.140206 0.359794 0.618087 ] [ 0.140206 0.359794 0.381913 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Br" "Br" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.15134734192 "source-unit" "angstrom" } "c" { "source-value" 11.1273182815 "source-unit" "angstrom" } }