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=-3.9206800462548426 stress="-1.373548789979303 -0.048824028780773014 0.12792777917761666 -0.048824028780773014 -1.3153440177599682 0.05193750052398548 0.12792777917761666 0.05193750052398548 -1.1105730842171828" pbc="T T F" Fe -0.04105180 0.20259391 0.06504129 -6.45424500 -7.66520985 -8.38319695 Fe 1.20865944 1.36550211 0.22277084 9.58024649 9.44046883 -11.21061136 Fe 1.53986855 0.18362810 1.69581920 3.65812020 -1.58608031 9.39627260 Fe 0.14685009 1.76166535 1.67626233 -6.78412170 -0.18917867 10.19753571