4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=31.463693611460513 stress="-130.1010838591563 -4.052401370957051 -61.93077960259253 -4.052401370957051 -64.58354122928986 -0.17849930887334153 -61.93077960259253 -0.17849930887334153 -145.94130394517936" pbc="F F F" Pd 0.13856038 -0.00034539 0.27820060 -92.98052182 -19.95641790 -89.75144869 Pd 1.28858747 1.67621204 0.13215382 27.68699254 20.57346311 -32.83646248 Pd 1.21035018 0.03922890 1.37689326 91.16308890 -17.94885331 93.59388259 Pd 0.11719846 1.77680686 1.59967038 -25.86955962 17.33180810 28.99402858