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=15.20224713555153 stress="-3.22156600388958 -1.780956213455064 0.3242956598758911 -1.780956213455064 -3.1016928314637178 -0.15868792250682925 0.3242956598758911 -0.15868792250682925 -1.7830491466702638" pbc="F T T" Cn 0.22126680 -0.06756126 -0.04858186 -11.66095021 5.69809548 -12.67467807 Cn 1.50267083 1.38291898 0.21086273 21.58809447 -6.17321943 -20.25493652 Cn 1.30326452 -0.17584872 1.33828702 56.57477617 53.13925277 15.43475026 Cn 0.24975572 1.69487120 1.27836360 -66.50192044 -52.66412882 17.49486433