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:forces:R:3 energy=640.7131283101537 stress="-2498.73141895419 438.4781301222569 1042.9538393871626 438.4781301222569 -2948.9996428504537 1678.1235377644975 1042.9538393871626 1678.1235377644975 -3732.6609966191263" pbc="F F F" Db -0.23907842 -0.07294416 -0.25424452 -190.31568083 -312.56927406 -277.27235220 Db 1.67314898 1.33760330 0.13462159 1117.38494447 1431.94611812 -2283.46223371 Db 1.65012936 -0.02051987 1.62396614 371.87351556 -1772.05486749 1630.09267146 Db 0.02306479 1.49301999 1.42090531 -1298.94277920 652.67802344 930.64191445