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=533914.0628017328 stress="-99345.95573057338 3467.9325859799305 -16539.960703962035 3467.9325859799305 -60771.51098395375 -14021.92016652314 -16539.960703962035 -14021.92016652314 -78653.73573536033" pbc="T F T" Ra 0.12886504 0.19761648 0.05531528 -429905.04711258 -273089.13509121 455953.84742927 Ra 1.54259424 1.51042025 -0.23270448 942812.54020366 700595.74641364 1275306.17489681 Ra 1.39023314 0.10224147 1.76378027 329960.95769147 -842939.55764765 -839250.57132014 Ra 0.17950138 1.73984055 1.79283565 -842868.45078255 415432.94632522 -892009.45100594