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=-2.90740268426 stress="-5.330202812245297 1.3079488951376022 -0.06775873018695304 1.3079488951376022 -4.355977841203071 0.3991953234729282 -0.06775873018695304 0.3991953234729282 -3.8407301252059285" pbc="F F F"
Fe       0.03369179       0.02598936      -0.27670350      -5.76859204      -3.80095983      -4.43007304 
Fe       1.46375436       1.40583543      -0.24440284       3.76631858       6.56219616      -5.12533458 
Fe       1.20178472       0.29874826       1.27290972      12.34582275     -11.39723128       6.86011040 
Fe      -0.11909813       1.36136659       1.55835534     -10.34354930       8.63599495       2.69529723