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=-9.535933530107126 stress="-36.639010801481334 -17.39150171724124 3.2647187240287234 -17.39150171724124 -22.66673759405196 -0.24925045585039163 3.2647187240287234 -0.24925045585039163 -16.979562298732027" pbc="F F F" W -0.12029223 0.27711528 -0.16667940 -23.87616771 -16.60201881 -1.22906167 W 1.25213077 1.23125112 -0.28175649 24.06549081 15.59117694 -7.55660392 W 1.63616082 -0.23570740 1.62968218 2.59494591 -3.07124361 2.90757174 W 0.21980528 1.79977655 1.68543805 -2.78426900 4.08208548 5.87809385