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=-17.926117374024304 stress="-0.0002693265008423168 5.405940064232165e-05 6.305502358049453e-05 5.405940064232165e-05 -0.00015749562352115293 -1.9190883130615594e-05 6.305502358049453e-05 -1.9190883130615594e-05 -0.00025348869094731023" free_energy=-17.926117374024304 pbc="F F F" Ni 20.91870436 21.04860922 21.20118821 -0.41513909 -0.23479127 -1.37785649 Ni 22.70960170 22.31143450 22.33833517 0.96799324 4.75443010 -0.40490406 Ni 23.78829595 20.83509776 21.14041416 0.96866680 -2.20153262 -1.97773873 Ni 25.27812781 22.51878885 22.32834452 1.44010421 0.81329284 0.52639853 Ni 21.14899368 23.95894820 21.13640716 -1.93564419 -1.73414209 -0.97440286 Ni 22.56504129 25.20865944 22.36550211 -4.77822057 7.20724064 4.17115366 Ni 23.78802619 24.22277084 21.18584377 5.31890198 -3.38275654 -5.62549096 Ni 25.68362810 25.69581920 22.77817929 -0.58236462 -0.59754686 0.12987719 Ni 21.26959405 21.43604902 23.57994991 -3.01492150 -1.59814053 3.44313261 Ni 22.49501075 22.67572846 25.44885634 1.84664629 -1.27482791 1.26395838 Ni 24.03848316 20.95774659 23.86661612 -0.11849230 -0.48388208 1.06281184 Ni 25.67883827 22.38825682 25.50213148 -0.76311409 0.58395916 -0.67981538 Ni 21.19178619 24.17895518 24.29140871 -1.90665785 0.36949551 -1.89461278 Ni 22.79645686 25.53253581 25.64904689 0.39060053 0.38764703 0.30001768 Ni 23.78091226 24.10609294 23.78787495 2.84905526 -2.19211741 2.52336483 Ni 25.51817278 25.24642973 25.64352264 -0.26741410 -0.41632796 -0.48589347