4 Lattice="4.6313880767517235 0.0 0.0 0.0 3.306178252090737 0.0 0.0 0.0 17.10979291" Properties=species:S:1:pos:R:3 energy=-21.30072996278731 dipole="-3.2672030940820904 0.011732797249703606 7.465530366030869e-06" free_energy=-21.30073134049456 pbc="T T F" P 0.03948480 -0.00027057 7.49990646 P 0.86217564 -0.00026338 9.60988536 P 2.35547782 1.65277230 9.60988532 P 3.17816857 1.65277948 7.49990643