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=7.637003271767741 stress="-2.760220140362991 -0.12789116622693947 -0.010377490643074427 -0.12789116622693947 -1.7439680129136987 0.01813141843953153 -0.010377490643074427 0.01813141843953153 -2.890855064828592" pbc="T F T" Pd 0.09203375 0.24843919 0.14432661 -1.10900410 -16.80008604 -2.09086376 Pd 1.26023492 1.74849743 0.25911890 6.32593036 16.31813625 -3.35252647 Pd 1.69019325 0.19877714 1.60881314 -0.72521645 -15.66672033 2.01160387 Pd 0.13250256 1.60031152 1.55442580 -4.49170980 16.14867011 3.43178635