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=126.99127603215433 stress="-36.69572688541346 -18.253077009193955 -0.866807446507318 -18.253077009193955 -33.72831861730136 2.6764040707237826 -0.866807446507318 2.6764040707237826 -16.635654338797234" pbc="T F F" Rg 0.03921436 0.07669150 0.02551607 59.23603177 -164.71605242 -107.79978689 Rg 1.59649052 1.38039931 0.27017248 -140.60397505 186.00712379 -193.66860495 Rg 1.76750623 0.07551143 1.74535968 -464.81755538 -560.93830864 155.61650148 Rg -0.02824390 1.31361754 1.59497730 546.18549866 539.64723727 145.85189036