16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.919558085984846 stress="-51.88113109894558 7.693624861816353 7.0314305863480655 7.693624861816353 -42.01883259693325 -16.81081368828682 7.0314305863480655 -16.81081368828682 -51.476553855523385" pbc="F F F" Pd -0.08129564 0.04860922 0.20118821 0.17848736 0.16555100 0.15894606 Pd 1.70960170 1.31143450 1.33833517 -0.42465047 4.78567892 0.70615570 Pd 2.78829595 -0.16490224 0.14041416 2.78007418 -4.21350029 -3.23476192 Pd 4.27812781 1.79098848 1.26215777 2.72482626 -1.90345779 1.59440908 Pd 0.00812325 2.95894820 0.46238060 -5.47528798 -3.65854763 -3.27142681 Pd 1.56504129 4.20865944 1.36550211 -9.11130778 17.78027234 10.66698115 Pd 2.78802619 3.22277084 0.18584377 11.76897608 -7.58949072 -15.15721390 Pd 4.68362810 4.42174433 1.43189743 -0.46702486 -0.46284743 0.66011315 Pd 0.45325122 0.37914956 2.93745809 -7.21960061 -6.57738826 -2.47618547 Pd 1.50581744 1.44016584 4.47483729 4.50414834 3.14517676 7.00215435 Pd 3.25067569 -0.11739967 3.04842823 -0.63885624 -0.43946677 -0.93216862 Pd 4.24009786 1.67103879 4.33251603 1.15388680 0.08390610 1.05141166 Pd 0.32541478 3.17895518 3.11843813 -4.13469214 -1.05105304 0.78002146 Pd 1.68489789 4.58106055 4.56465758 0.50053111 1.20523197 1.38867258 Pd 2.78091226 3.10609294 2.96603997 3.66041676 -1.70428112 1.01897542 Pd 4.44259639 4.22637631 4.39081102 0.20007321 0.43421596 0.04391612