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=77.10392388405916 stress="-3.5777134553604095 0.005264189748890617 -0.01958372651327323 0.005264189748890617 -3.6099718932282654 -0.009893413670808869 -0.01958372651327323 -0.009893413670808869 -3.6320400344124817" free_energy=77.10392388405916 pbc="T T T" Cs -0.14459490 0.11115480 0.11044915 1.24776457 -1.39725265 -0.20720884 Cs 1.70960170 1.31143450 -0.16166483 -1.78558247 1.50533665 0.30458544 Cs 1.28829595 0.03769167 1.64041416 -0.69490178 -1.05452473 -0.50265579 Cs -0.22187219 1.51878885 1.32834452 1.23271969 0.94644073 0.40527919