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=-3.92775466632 stress="-5.650460173925637 2.139286561875376 0.4180344280648727 2.139286561875376 -4.470691849607297 0.08374279981810795 0.4180344280648727 0.08374279981810795 -3.587641050000527" pbc="F F F" Fe 0.03369179 0.02598936 -0.27670350 -4.42620222 -3.19085088 -3.86683660 Fe 1.46375436 1.40583543 -0.24440284 3.25458656 5.43647893 -4.83657781 Fe 1.20178472 0.29874826 1.27290972 13.77663153 -12.64422357 4.97321365 Fe -0.11909813 1.36136659 1.55835534 -12.60501587 10.39859552 3.73020076