ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 40 ITEM: BOX BOUNDS pp pp pp 0.0000000000000000e+00 4.0919400000000001e+00 0.0000000000000000e+00 4.0919400000000001e+00 0.0000000000000000e+00 7.0868700000000004e+01 ITEM: ATOMS id mol type q xs ys zs 1 1 2 1 0.25 0.25 0.152961 20 20 2 1 0.75 0.75 0.112133 21 21 1 -1 0.25 0.25 0.112133 40 40 1 -1 0.75 0.75 0.152961 3 3 2 1 0.25 0.25 0.234617 18 18 2 1 0.75 0.75 0.193789 23 23 1 -1 0.25 0.25 0.193789 38 38 1 -1 0.75 0.75 0.234617 5 5 2 1 0.25 0.25 0.316274 16 16 2 1 0.75 0.75 0.275445 25 25 1 -1 0.25 0.25 0.275445 36 36 1 -1 0.75 0.75 0.316274 7 7 2 1 0.25 0.25 0.39793 14 14 2 1 0.75 0.75 0.357102 27 27 1 -1 0.25 0.25 0.357102 34 34 1 -1 0.75 0.75 0.39793 9 9 2 1 0.25 0.25 0.479586 12 12 2 1 0.75 0.75 0.438758 29 29 1 -1 0.25 0.25 0.438758 32 32 1 -1 0.75 0.75 0.479586 10 10 2 1 0.75 0.75 0.520414 11 11 2 1 0.25 0.25 0.561242 30 30 1 -1 0.75 0.75 0.561242 31 31 1 -1 0.25 0.25 0.520414 8 8 2 1 0.75 0.75 0.60207 13 13 2 1 0.25 0.25 0.642898 28 28 1 -1 0.75 0.75 0.642898 33 33 1 -1 0.25 0.25 0.60207 6 6 2 1 0.75 0.75 0.683726 15 15 2 1 0.25 0.25 0.724555 26 26 1 -1 0.75 0.75 0.724555 35 35 1 -1 0.25 0.25 0.683726 4 4 2 1 0.75 0.75 0.765383 17 17 2 1 0.25 0.25 0.806211 24 24 1 -1 0.75 0.75 0.806211 37 37 1 -1 0.25 0.25 0.765383 2 2 2 1 0.75 0.75 0.847039 19 19 2 1 0.25 0.25 0.887867 22 22 1 -1 0.75 0.75 0.887867 39 39 1 -1 0.25 0.25 0.847039 ITEM: TIMESTEP 1 ITEM: NUMBER OF ATOMS 40 ITEM: BOX BOUNDS pp pp pp 0.0000000000000000e+00 4.0919400000000001e+00 0.0000000000000000e+00 4.0919400000000001e+00 0.0000000000000000e+00 7.0868700000000004e+01 ITEM: ATOMS id mol type q xs ys zs 1 1 2 1 0.25 0.25 0.152953 20 20 2 1 0.75 0.75 0.11227 21 21 1 -1 0.25 0.25 0.111984 40 40 1 -1 0.75 0.75 0.152961 3 3 2 1 0.25 0.25 0.234617 18 18 2 1 0.75 0.75 0.193789 23 23 1 -1 0.25 0.25 0.19379 38 38 1 -1 0.75 0.75 0.234617 5 5 2 1 0.25 0.25 0.316273 16 16 2 1 0.75 0.75 0.275445 25 25 1 -1 0.25 0.25 0.275445 36 36 1 -1 0.75 0.75 0.316273 7 7 2 1 0.25 0.25 0.39793 14 14 2 1 0.75 0.75 0.357102 27 27 1 -1 0.25 0.25 0.357102 34 34 1 -1 0.75 0.75 0.39793 9 9 2 1 0.25 0.25 0.479586 12 12 2 1 0.75 0.75 0.438758 29 29 1 -1 0.25 0.25 0.438758 32 32 1 -1 0.75 0.75 0.479586 10 10 2 1 0.75 0.75 0.520414 11 11 2 1 0.25 0.25 0.561242 30 30 1 -1 0.75 0.75 0.561242 31 31 1 -1 0.25 0.25 0.520414 8 8 2 1 0.75 0.75 0.60207 13 13 2 1 0.25 0.25 0.642898 28 28 1 -1 0.75 0.75 0.642898 33 33 1 -1 0.25 0.25 0.60207 6 6 2 1 0.75 0.75 0.683727 15 15 2 1 0.25 0.25 0.724555 26 26 1 -1 0.75 0.75 0.724555 35 35 1 -1 0.25 0.25 0.683727 4 4 2 1 0.75 0.75 0.765383 17 17 2 1 0.25 0.25 0.806211 24 24 1 -1 0.75 0.75 0.80621 37 37 1 -1 0.25 0.25 0.765383 2 2 2 1 0.75 0.75 0.847047 19 19 2 1 0.25 0.25 0.88773 22 22 1 -1 0.75 0.75 0.888016 39 39 1 -1 0.25 0.25 0.847039