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=-62.408721936627956 stress="0.0002905606271879606 5.383249119711004e-06 4.506659108112139e-06 5.383249119711004e-06 0.00029965872793324147 -3.005972068029008e-05 4.506659108112139e-06 -3.005972068029008e-05 0.00029289570625015877" free_energy=-62.408721936627956 pbc="F F F" Ni 20.85540510 21.11115480 21.11044915 1.48237031 1.13315763 0.88573248 Ni 22.56158875 22.31143450 22.33833517 0.60140868 2.03186782 0.78176329 Ni 23.78829595 20.89839703 21.14041416 -1.57452861 -0.10981886 0.42026038 Ni 25.27812781 22.51878885 22.32834452 -0.29440705 1.18106449 0.97028468 Ni 20.87679405 23.95894820 21.20259391 0.71156869 -1.91383876 0.49658191 Ni 22.56504129 25.20865944 22.36550211 0.38681127 0.75877176 1.79083559 Ni 23.78802619 24.22277084 21.18584377 0.80886036 -0.57639188 0.74705073 Ni 25.68362810 25.69581920 22.64685009 -3.20744647 -2.76964081 1.78207052 Ni 21.26959405 21.17626233 23.85402479 0.32718253 0.79363634 -0.31097752 Ni 22.64741783 22.49207130 25.65300231 0.44327085 0.70464214 -1.23260871 Ni 24.03848316 20.95226087 23.91852158 -1.01237960 0.40068194 -0.90399153 Ni 25.45789336 22.38825682 25.27041603 -1.00596706 2.10594945 -0.65377971 Ni 21.03305438 24.17895518 24.29140871 0.61284908 -1.69478651 -1.57925298 Ni 22.61455359 25.53253581 25.49045389 1.23854738 -0.35417571 0.06296059 Ni 23.78091226 24.10609294 23.96603997 1.11808096 -0.61020957 -1.20007849 Ni 25.30598025 25.32157598 25.51361598 -0.63622131 -1.08090950 -2.05685123