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:Z:I:1:forces:R:3 energy=1238.3540653047062 pbc="T F F" No -0.05077534 -0.23462498 -0.21326637 102 -254.08235957 -325.59010455 -447.45030619 No 1.34264473 1.49836250 -0.17204521 102 229.75822397 420.93724371 -550.85137424 No 1.20668265 0.10648855 1.38736031 102 4897.32014227 -5116.00170645 381.02765695 No 0.02906851 1.27636289 1.43582259 102 -4872.99600667 5020.65456728 617.27402348