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=35.79501351110522 stress="-0.784307206364109 0.022754120602512435 0.005199121286517055 0.022754120602512435 -0.7266963574776208 -0.012628159996486851 0.005199121286517055 -0.012628159996486851 -1.8719713608954334" free_energy=35.79501351110522 pbc="F F T" Rb 0.10170120 0.00082602 0.24624097 -7.06180795 -7.01479910 -1.01244555 Rb 1.64302402 1.35498893 0.11042859 6.90028461 6.24273010 -1.15190850 Rb 1.70947124 0.05280714 1.41333883 6.77489384 -6.61108772 0.97773582 Rb 0.15488783 1.55988540 1.20245745 -6.61337050 7.38315672 1.18661823