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=73.10589498846937 stress="-9.038011572995842 -2.9481610956374276 -0.652930297053413 -2.9481610956374276 -11.414637548986956 1.7940629976217903 -0.652930297053413 1.7940629976217903 -7.822945804389473" pbc="T T F" W -0.29134056 -0.13449789 0.22277084 87.52510255 97.53094950 -78.66429564 W 1.68584377 1.68362810 0.19581920 -107.07892769 -62.45421967 -76.94152526 W 1.64685009 0.42259636 1.67626233 -54.70686034 -30.40340665 63.16972583 W -0.14597521 1.70996341 1.49207130 74.26068548 -4.67332318 92.43609506