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=-7.830064154046823 stress="-6.81333056017544 -0.4837084726205114 1.6640783717357586 -0.4837084726205114 -4.631012131396633 -0.9620158540542945 1.6640783717357586 -0.9620158540542945 -5.936023142570992" pbc="F F F" Fe -0.24440284 -0.29821528 0.29874826 -2.26067262 -2.05349396 -1.29545626 Fe 1.27290972 1.28175353 -0.13863341 3.05608093 0.58558951 -3.23345704 Fe 1.55835534 -0.25560816 1.48193431 1.40818600 -0.39440543 1.52437281 Fe -0.07998135 1.70070203 1.20342959 -2.20359431 1.86230988 3.00454049