4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=13.459809645329509 stress="-2.2906782604070814 -0.6582851475822092 -1.930778334874302 -0.6582851475822092 -5.341984151195675 -3.4059660877568576 -1.930778334874302 -3.4059660877568576 1.6581000778962955" free_energy=13.459809645329509 pbc="F F T" Ni 0.10170120 0.00082602 0.24624097 -3.20499298 -48.81372949 -90.81047903 Ni 1.64302402 1.35498893 0.27473942 52.81832621 72.32625981 5.98348971 Ni 1.70947124 0.05280714 1.41333883 -10.88587961 -59.47179227 24.69913704 Ni 0.15488783 1.37414270 1.20245745 -38.72745362 35.95926195 60.12785228