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=107.38888477361594 stress="-239.0191230157622 24.923202640438774 -49.606143633942224 24.923202640438774 -200.4566501954873 -25.092227031288928 -49.606143633942224 -25.092227031288928 -253.35668780661433" pbc="F F F" W 0.19178619 0.17895518 0.29140871 -102.77626960 -88.13181548 -165.82880347 W 1.61455359 1.53253581 0.14904689 51.30703555 63.02887915 -41.60315163 W 1.28091226 0.10609294 1.46603997 126.02498303 -71.13126231 128.02368554 W -0.19401975 1.32157598 1.51361598 -74.55574899 96.23419864 79.40826956