16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.919558085984846 stress="-0.0007002636202751527 0.00010384441288490072 9.490647049924529e-05 0.00010384441288490072 -0.0005671476163067349 -0.00022690332696640155 9.490647049924529e-05 -0.00022690332696640155 -0.0006948028541129926" pbc="F F F" Pd 20.91870436 21.04860922 21.20118821 0.17848736 0.16555100 0.15894606 Pd 22.70960170 22.31143450 22.33833517 -0.42465047 4.78567892 0.70615570 Pd 23.78829595 20.83509776 21.14041416 2.78007418 -4.21350029 -3.23476192 Pd 25.27812781 22.79098848 22.26215777 2.72482626 -1.90345779 1.59440908 Pd 21.00812325 23.95894820 21.46238060 -5.47528798 -3.65854763 -3.27142681 Pd 22.56504129 25.20865944 22.36550211 -9.11130778 17.78027234 10.66698115 Pd 23.78802619 24.22277084 21.18584377 11.76897608 -7.58949072 -15.15721390 Pd 25.68362810 25.42174433 22.43189743 -0.46702486 -0.46284743 0.66011315 Pd 21.45325122 21.37914956 23.93745809 -7.21960061 -6.57738826 -2.47618547 Pd 22.50581744 22.44016584 25.47483729 4.50414834 3.14517676 7.00215435 Pd 24.25067569 20.88260033 24.04842823 -0.63885624 -0.43946677 -0.93216862 Pd 25.24009786 22.67103879 25.33251603 1.15388680 0.08390610 1.05141166 Pd 21.32541478 24.17895518 24.11843813 -4.13469214 -1.05105304 0.78002146 Pd 22.68489789 25.58106055 25.56465758 0.50053111 1.20523197 1.38867258 Pd 23.78091226 24.10609294 23.96603997 3.66041676 -1.70428112 1.01897542 Pd 25.44259639 25.22637631 25.39081102 0.20007321 0.43421596 0.04391612