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=91.25795254322935 stress="-0.0013512364892902333 -7.487212379248962e-05 -9.660529838586342e-05 -7.487212379248962e-05 -0.001315024653218371 -0.00011112581549595419 -9.660529838586342e-05 -0.00011112581549595419 -0.0013261743398614865" free_energy=91.25795254322935 pbc="F F F" Rb 20.85540510 21.11115480 21.11044915 -3.94554193 -3.14441030 -3.34128750 Rb 22.70960170 22.31143450 22.33833517 -1.90854464 -1.55074036 -2.02634561 Rb 23.78829595 20.83509776 21.14041416 2.06097505 -5.19973027 -5.05872581 Rb 25.27812781 22.51878885 22.32834452 7.17248719 -1.28904280 -2.53320415 Rb 20.87679405 23.95894820 21.20259391 -5.22423086 1.82494321 -3.93915274 Rb 22.56504129 25.20865944 22.36550211 -2.62243706 7.33527426 -1.76522243 Rb 23.78802619 24.22277084 21.18584377 2.66591582 2.19397246 -7.45899066 Rb 25.68362810 25.69581920 22.64685009 4.20866069 3.84874192 -1.60472756 Rb 21.26959405 21.17626233 23.85402479 -5.03168809 -4.43255298 2.51631846 Rb 22.70996341 22.49207130 25.65300231 -1.79788583 -2.24698490 6.76155090 Rb 24.03848316 20.95774659 23.91852158 2.14450018 -6.86574268 2.22815769 Rb 25.45789336 22.38825682 25.27041603 5.14164604 -1.83729777 4.08841174 Rb 21.19178619 24.17895518 24.29140871 -6.85941072 1.67938392 2.11528626 Rb 22.61455359 25.53253581 25.64904689 -1.82173630 4.71699787 4.60286809 Rb 23.78091226 24.10609294 23.96603997 2.03988350 1.88763863 1.78392089 Rb 25.30598025 25.32157598 25.51361598 3.77740695 3.07954980 3.63114245