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=27744.864759477718 stress="-2953.194455688817 358.25675306562687 -202.82946191147832 358.25675306562687 -4979.20447842428 -970.0011713756295 -202.82946191147832 -970.0011713756295 -4629.828428056905" pbc="F T T" K 0.01066455 -0.29634030 -0.01595388 -23717.97513260 15269.26088108 13506.64134262 K 1.65036663 1.34988540 -0.16816766 22820.65036948 17959.67390555 30646.55404208 K 1.38607992 -0.01407923 1.57226908 31129.55746500 -28385.25582126 -32412.81533127 K 0.02716645 1.37161221 1.53639127 -30232.23270188 -4843.67896537 -11740.38005344