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=-14.715817095088635 stress="19.95135173047906 -2.4035077951067096 0.5197396552866245 -2.4035077951067096 19.849332181142717 -0.16014912233672618 0.5197396552866245 -0.16014912233672618 18.03855761606002" pbc="F F F" Mn 0.02598936 -0.27670350 -0.03624564 6.01131062 6.88677534 4.89267832 Mn 1.40583543 1.25559716 -0.29821528 -5.23303171 -5.39135393 7.06525528 Mn 1.79874826 -0.22709028 1.38090187 -6.63715161 4.95336881 -6.31638706 Mn -0.13863341 1.55835534 1.24645637 5.85887271 -6.44879022 -5.64154655