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=6.676326238374739 stress="-87.20846695593733 2.24363165269793 -9.659360516030041 2.24363165269793 -85.40891379128239 2.259310819507327 -9.659360516030041 2.259310819507327 -87.96392207189264" pbc="F F F" W -0.14801295 -0.02432459 0.06329927 -36.53298823 -25.44204958 -35.86957438 W 1.43745442 1.27846858 -0.00548572 22.86417181 32.13053757 -26.51710653 W 1.34126820 -0.15859300 1.31668137 35.19777845 -37.09821233 33.39426738 W -0.08013605 1.24396547 1.59073906 -21.52896202 30.40972435 28.99241353