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=68.66332127159009 stress="-13.863411535400974 0.2011730035866119 0.13754895119986524 0.2011730035866119 -11.940255796585205 -0.8940426508153557 0.13754895119986524 -0.8940426508153557 -12.225855040553087" free_energy=68.66332127159009 pbc="T T T" U 2.96097674 2.78219307 0.21813893 -8.36736829 33.19296685 -47.68565275 U 1.26716069 1.69410236 2.55711027 7.29225076 -45.72382614 29.31198738 U 1.38201197 2.93300593 1.22002482 -8.54278720 32.19975797 17.76444496 U 2.77696427 1.41661558 1.46512192 9.61790474 -19.66889868 0.60922041