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=-15.896433530263625 stress="0.45032185016650217 -0.10750180620113269 0.041249682246664844 -0.10750180620113269 -0.11881053620405346 0.1316757155635602 0.041249682246664844 0.1316757155635602 0.018414578536964325" free_energy=-15.896433530263625 pbc="T F F" C 2.78747849 0.28095696 0.26008946 -0.67739603 6.76644971 0.95487848 C 1.37675974 1.32230465 0.28460712 2.06862083 -1.65120308 -1.26800889 Fe 1.34913206 0.11893942 1.22956938 -1.75944422 -8.00091763 1.85085455 Fe 2.83885520 1.53926819 1.73010044 0.36821942 2.88567100 -1.53772414