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=381557.68520191155 pbc="T F F" Ra 0.22841961 -0.14983762 0.03762348 88 -474981.53506220 -170595.76242916 -551254.20082124 Ra 1.51683310 1.64198301 0.28379673 88 488112.72196205 428312.78600198 -872815.41078993 Ra 1.48950076 0.09209123 1.24577852 88 494429.99951184 -374067.52678098 760367.65335327 Ra 0.12166566 1.63314855 1.32588640 88 -507561.18641169 116350.50320817 663701.95825790