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=124998.19825394597 stress="-23850.65679726493 1636.0031873626792 16593.855862615233 1636.0031873626792 -11309.300432759772 -341.0334946148944 16593.855862615233 -341.0334946148944 -21965.895579826814" pbc="T T T" W -0.20719586 0.01345181 0.23309421 458921.84757458 -59547.81415759 -448026.05172361 W 1.73540009 1.50099902 0.21776229 -25786.95352585 50945.46328161 -99009.63633956 W 1.73127833 0.11183220 1.27633137 -421527.39430011 -17191.05422541 476952.04589883 W 0.29436974 1.43753025 1.30749795 -11607.49974861 25793.40510139 70083.64216435