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=3.994796498236142 stress="-1.858498607000016 0.884593841149752 -0.2152504075190448 0.884593841149752 -2.781799489503553 0.5049346754368764 -0.2152504075190448 0.5049346754368764 -1.3114919027293468" pbc="T T F" Fe -0.22303573 -0.08338442 0.22586561 11.74367614 -12.68803114 -11.28125623 Fe 1.79391194 1.22614529 0.02103145 -13.59735115 20.09214534 -17.22619330 Fe 1.27761356 0.18220204 1.39362841 9.14271323 -14.77368833 16.59872013 Fe 0.23573857 1.52724172 1.27538150 -7.28903823 7.36957414 11.90872940