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=2377.3320072844867 pbc="T F F"
Db      -0.23911773      -0.22998963       0.05283845      105    2849.87689524   -1950.28650920   -4277.69327525 
Db       1.21730478       1.43935124       0.01610053      105    1046.70644323    1987.70920181   -3922.20118368 
Db       1.64477582       0.16263860       1.51962757      105   -1785.23609282   -3414.67733285    5268.04536183 
Db       0.18839540       1.46831511       1.70557189      105   -2111.34724565    3377.25464025    2931.84909709