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=-0.24432565306653017 stress="-5.554560788809426 -0.43196331079408734 -0.610921833223822 -0.43196331079408734 -5.906744775082194 0.2324227470074609 -0.610921833223822 0.2324227470074609 -3.6385548361294076" pbc="F F F" Pd -0.21770305 0.02031036 0.18745344 -2.26954553 -1.67645617 -2.05413119 Pd 1.52015752 1.37970777 0.27711528 1.80758219 2.13068307 -1.51511471 Pd 1.37871118 -0.24786923 1.23125112 1.47116705 -1.98736876 2.09133999 Pd -0.28175649 1.63616082 1.26429260 -1.00920371 1.53314186 1.47790592