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=1266.157733235805 pbc="F T F" Rf -0.16449197 0.04224974 -0.10279104 104 -2311.14848178 -891.34229194 -942.20720050 Rf 1.47747260 1.30288466 -0.22937340 104 2075.10306289 2329.16218163 -2373.45741943 Rf 1.54154424 0.24754366 1.55004767 104 1480.66303919 -1376.85355367 2251.34254592 Rf -0.13252833 1.68430800 1.67033765 104 -1244.61762030 -60.96633601 1064.32207400