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=27.903779193949113 stress="-3.456936752520911 -0.02158850808686804 0.044500841525271194 -0.02158850808686804 -3.7368957744596787 -0.02333275490051315 0.044500841525271194 -0.02333275490051315 -2.141260778542807" free_energy=27.903779193949113 pbc="T T F" As 2.78802619 0.26125400 0.18584377 10.40623828 -3.26355238 -22.52704235 As 1.68362810 1.65356579 0.14685009 -8.21929019 3.74891950 -21.04121957 As 1.76959405 0.17626233 1.35402479 -5.64114792 -4.97789624 23.17223288 As 0.20996341 1.49207130 1.65300231 3.45419983 4.49252912 20.39602905