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=54.48169431762776 stress="-6.660859920485932 1.1468611014525911 -1.4067468603854953 1.1468611014525911 -6.693038192541964 -1.0448281785331286 -1.4067468603854953 -1.0448281785331286 -7.309536803973066" pbc="T T T" Pd -0.14459490 0.11115480 0.11044915 45.95263698 -68.88175656 -23.59280776 Pd 1.70960170 1.31143450 0.04092907 -79.48185178 56.31116113 -31.37150120 Pd 1.35333724 0.05786860 1.64041416 -12.75780632 -29.76768181 -5.36828928 Pd -0.22187219 1.37281364 1.32834452 46.28702113 42.33827724 60.33259824