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=-66.59590014161715 stress="4.6083595858980665e-05 6.195144776823286e-05 5.351309930189645e-05 6.195144776823286e-05 5.820191352658344e-05 -8.16498573587243e-06 5.351309930189645e-05 -8.16498573587243e-06 3.4326762387484506e-05" free_energy=-66.59590014161715 pbc="F F F" Ni 20.85540510 21.11115480 21.11044915 0.40460363 0.41521367 0.53306932 Ni 22.70960170 22.31143450 22.33833517 -1.06109958 1.98606823 -0.31429360 Ni 23.78829595 20.83509776 21.14041416 0.71934279 -0.80038701 -0.56102532 Ni 25.27812781 22.37077590 22.30401993 -0.63910025 0.32547894 0.33119173 Ni 20.87679405 23.95894820 21.20259391 0.25406138 -0.31031949 0.48559904 Ni 22.56504129 25.20865944 22.36550211 -3.05600718 2.30903680 1.98579340 Ni 23.78802619 24.22277084 21.18584377 3.02175959 -2.15876391 -2.14025584 Ni 25.68362810 25.69581920 22.71014936 -0.74256236 -0.63722750 0.18973276 Ni 21.20704847 21.17626233 23.63249336 -0.05116744 0.16626907 0.34813762 Ni 22.70447769 22.33333949 25.65300231 0.13624257 0.23719590 -0.88319275 Ni 23.87989016 20.95774659 23.73520295 0.45680044 0.12822657 0.83048271 Ni 25.45789336 22.38825682 25.27041603 -0.73209197 0.29379730 -0.61505788 Ni 21.19178619 24.17895518 24.21127266 0.51018657 -0.68155859 -0.54257827 Ni 22.35851906 25.53253581 25.64904689 0.61010319 -0.32248627 -0.24221914 Ni 23.78091226 24.19683200 23.96603997 0.57289918 -0.53076184 0.99421777 Ni 25.30598025 25.32157598 25.51361598 -0.40397054 -0.41978190 -0.39960154