16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=593.948888118278 stress="-0.01678644549638519 -0.0006056145231468961 -0.0007567250607308579 -0.0006056145231468961 -0.01447120364329053 -0.001805787981584616 -0.0007567250607308579 -0.001805787981584616 -0.01584742027339969" free_energy=593.948888118278 pbc="F F F" Rb 20.76986142 21.13236414 20.73944939 -33.94242905 -30.01909423 -31.78272048 Rb 22.46972311 22.15238648 22.53790681 -3.28938695 24.02205688 -43.88219433 Rb 23.73395044 20.71647147 21.07493195 30.10032901 -44.64958093 -53.00308454 Rb 25.63169046 22.73295849 22.60637032 67.75222132 -18.06056898 -16.01397403 Rb 21.29740101 23.78561866 21.07730756 -75.00616253 11.31543209 -67.03186338 Rb 22.58177926 25.30522007 22.28391760 -39.21732826 124.11993445 8.18137008 Rb 23.84426700 24.01400128 21.17230680 52.40393258 -28.18291490 -99.39679047 Rb 25.62659488 25.54311643 22.21099175 48.75571332 47.49905841 -12.77034635 Rb 21.13311255 21.00743936 23.80175050 -81.20453427 -73.57441214 36.63490614 Rb 22.68619434 22.34738753 25.38529253 -16.55521910 -4.74719717 92.02349368 Rb 23.97076775 21.15075815 23.76410200 56.71565226 -91.81309239 24.01752231 Rb 25.46545771 22.20374637 25.60260142 41.95510518 -3.13274615 39.53792801 Rb 21.18947213 23.85847550 23.91489178 -90.98059085 14.12813449 14.75127184 Rb 22.47839446 25.33058461 25.36537308 -43.98784089 61.73043585 71.67095304 Rb 24.02278034 24.41132197 24.02634608 37.24704507 -27.13261777 -7.41330563 Rb 25.20032005 25.66886747 25.54810421 49.25349317 38.49717247 44.47683410