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=-2.1869794755255065 stress="-23.028296192748826 5.418592426793565 -0.17032117746448705 5.418592426793565 -15.672050734709439 6.275460662786504 -0.17032117746448705 6.275460662786504 -22.628741490032645" pbc="F F F" P 0.19273990 -0.19277068 -0.23827333 -3.89768172 -1.84874213 -5.13424744 Fe 1.55332204 1.38436473 0.23110688 7.80654332 5.41849750 -9.57691271 P 1.49816022 0.01283276 1.70071341 8.65197829 -9.40260225 10.40424786 Fe 0.10418017 1.36042520 1.37547122 -12.56083989 5.83284688 4.30691229