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=-12.54824637309602 stress="1.1301774589383398 -0.01562901850401195 0.09916891590403061 -0.01562901850401195 1.3360885601911903 0.06810969484352383 0.09916891590403061 0.06810969484352383 1.2168769522651526" free_energy=-12.54824637309602 pbc="T T T" C 2.73219915 0.11115480 0.11044915 -3.57145820 4.61464795 4.97773703 C 1.70960170 1.31143450 2.83833517 8.73966072 -2.80825111 -4.95169745 C 1.28829595 2.83509776 1.64041416 0.63873537 -5.37800128 6.22624169 C 2.77812781 1.51878885 1.32834452 -5.80693790 3.57160444 -6.25228127