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=28.281441568418433 stress="-5.421007511402033 1.0440750049884147 0.9595581341395696 1.0440750049884147 -5.114632236976904 -0.25993812476578215 0.9595581341395696 -0.25993812476578215 -6.588404424778696" free_energy=28.281441568418433 pbc="F F T" Fe 0.21456242 0.27913633 2.85263676 -68.96304331 -45.26814793 46.19446497 Fe 1.68492541 1.33178173 2.88323780 37.32573804 38.59428691 14.36006936 Fe 1.26192411 0.12263099 1.54530481 83.00137205 -74.24893492 -46.11787917 Fe 0.12593290 1.34000708 1.39901191 -51.36406678 80.92279594 -14.43665516