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=11825.55848910392 pbc="F F T" Db 0.09839741 0.01694846 -0.11166514 105 -8090.21449115 -4744.93910844 6692.40708962 Db 1.63134417 1.46768346 -0.21960759 105 6655.43552844 11929.63499958 11860.39029146 Db 1.30535610 0.26189691 1.57092414 105 40387.14936386 -47088.75626977 -12078.83012828 Db 0.20671999 1.39740926 1.45423991 105 -38952.37040115 39904.06037863 -6473.96725280