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=143.08305460146664 stress="-14.39144943594746 -3.4639156877382087 -0.9078598706882984 -3.4639156877382087 -15.381684992499736 3.2483729774145216 -0.9078598706882984 3.2483729774145216 -12.311227410566776" free_energy=143.08305460146664 pbc="T T F" W -0.13449789 -0.21197381 0.22277084 97.89508908 131.19172107 -124.31890498 W 1.68584377 1.68362810 0.19581920 -124.41569935 -67.32618496 -121.70587493 W 1.64685009 0.42259636 1.67626233 -67.88393692 -45.90922030 91.44637301 W -0.14597521 1.70996341 1.49207130 94.40454718 -17.95631582 154.57840690