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=23.401240928529695 stress="-3.0222022605009355 0.10412517023966361 -0.9781146928999386 0.10412517023966361 -3.8547938884640107 0.6271129010239918 -0.9781146928999386 0.6271129010239918 -5.418753898472257" pbc="F T T" Fe 0.27354104 0.03273964 0.02240989 -34.28922761 7.68030696 6.39838073 Fe 1.38803420 1.79497883 -0.20400199 43.04287318 -29.10704086 42.30275027 Ni 1.31113270 -0.26666017 1.46247704 33.12252082 28.67815773 -19.48877138 Ni 0.29119256 1.30691229 1.66188986 -41.87616639 -7.25142382 -29.21235961