4 Lattice="3.6835855808872093 1.7314833172125693e-18 0.0 2.798110324307331e-16 4.775664558441452 0.0 1.35981683248266e-18 0.0 17.419999999999998" Properties=species:S:1:pos:R:3 energy=-18.48505772938068 pbc="T T F" As 0.00000000 0.05604514 9.90939638 As 0.00000000 4.14653890 7.51060294 As 1.84179279 2.44387742 7.51060362 As 1.84179279 1.75870662 9.90939706