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=-3.574834442806882 stress="-0.10590406649482315 0.13558335994899834 -0.047341789364142 0.13558335994899834 -0.17123972999032291 0.015711063853694567 -0.047341789364142 0.015711063853694567 0.1527232444159619" free_energy=-3.574834442806882 pbc="F F T" C 0.10170120 0.00082602 0.24624097 -0.26294170 0.12825725 4.12594352 C 1.64302402 1.51929976 0.11042859 -0.60174450 0.52141847 4.75434704 C 1.52372854 0.05280714 1.41333883 2.71725430 -3.21456154 -4.11481645 C 0.14332847 1.55988540 1.20245745 -1.85256810 2.56488582 -4.76547410