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=2235.7770050094678 pbc="F T T"
At       0.23720612       0.04213952      -0.14686464       85   -4461.63417438   -2422.52635532    6127.10476759 
At       1.74257962       1.48785390       0.06179810       85    1125.48637361    1454.48990175     827.39235444 
At       1.48101872       0.21531963       1.63900143       85    5369.75976798   -1569.36170662   -4655.66988183 
At      -0.03457635       1.41918787       1.66333169       85   -2033.61196721    2537.39816019   -2298.82724020