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=31713.43046704698 stress="-116132.1149299636 62437.05258492155 -5663.263256482911 62437.05258492155 -186465.8390209103 -14341.28947206997 -5663.263256482911 -14341.28947206997 -85976.98168411618" pbc="F F F" Np 0.26693269 0.01422862 -0.23691573 -33004.95804576 -34984.65589388 -32718.62245066 Np 1.23518192 1.77257803 -0.13427173 25029.69141460 36084.52387441 -14889.95815142 Np 1.22706782 0.17683275 1.53077888 82283.31133530 -86063.73359895 25000.13091949 Np 0.09341127 1.62680775 1.67886136 -74308.04470415 84963.86561842 22608.44968258