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=904.3851736454039 stress="-4118.0518494534035 -906.7312102135077 -1926.4547021131864 -906.7312102135077 -3400.08995980221 745.6516632649218 -1926.4547021131864 745.6516632649218 -4578.772190662086" pbc="F F F" Mc 0.25421593 -0.24816637 -0.03681406 -2243.74266871 -1165.79470628 -1989.97894606 Mc 1.68996499 1.41652032 -0.03712893 986.31856834 1633.17385043 -1135.61465958 Mc 1.66945681 -0.14272838 1.44651365 1751.27886709 -883.20053636 2661.63201520 Mc -0.19827426 1.61438830 1.32179428 -493.85476673 415.82139221 463.96159043