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=0.11296387366799387 stress="-5.671863112112469 1.1959163071838887 -1.6620418225542046 1.1959163071838887 -6.083211855892676 -1.3143214190628791 -1.6620418225542046 -1.3143214190628791 -6.903379670215772" pbc="F F F" Pd 0.02031036 0.18745344 0.02015752 -3.20108004 -1.45787029 -4.05216011 Pd 1.37970777 1.77711528 -0.12128882 1.18822958 1.18788591 -0.63521842 Pd 1.25213077 -0.26874888 1.21824351 3.42607543 -2.54666638 1.77650045 Pd 0.13616082 1.26429260 1.62968218 -1.41322497 2.81665077 2.91087808