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=34.82923304123098 stress="-6.42927318076582 0.1878876165486373 -1.3863778000742741 0.1878876165486373 -6.166401592283493 2.4724728798183833 -1.3863778000742741 2.4724728798183833 -8.085014162412746" free_energy=34.82923304123098 pbc="T T T" Fe 2.92001865 0.20070203 2.70342959 29.76082739 -74.30694678 92.73325463 Fe 1.64709263 1.49793547 0.28187239 -40.07438456 18.94728583 -33.75443594 Fe 1.51001192 2.98453339 1.60170120 -30.53508470 -25.97392202 -14.74055202 Fe 2.87793365 1.21904386 1.50082602 40.84864186 81.33358297 -44.23826667