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=79.66559490384151 stress="-6.405314114331102 0.7248280973423696 0.5106513146371909 0.7248280973423696 -10.358176373524485 0.2805205179108807 0.5106513146371909 0.2805205179108807 -7.651927371933804" pbc="F T F" Pd 0.29874826 -0.22709028 0.05835534 -85.66910075 58.53477346 -74.10135254 Pd 1.24645637 1.48193431 0.20070203 106.71658177 -58.71663989 -77.89954692 Pd 1.20342959 -0.09914834 1.49793547 77.53410953 39.14998021 67.93240301 Pd 0.28187239 1.51001192 1.48453339 -98.58159056 -38.96811378 84.06849645