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=4.817122436821242 stress="-2.077284306021735 0.35943079612826423 -0.24071453883097296 0.35943079612826423 -2.172656201953407 -0.45192025098560545 -0.24071453883097296 -0.45192025098560545 -2.6604203999474954" free_energy=4.817122436821242 pbc="T T T" Ni -0.14459490 0.11115480 0.11044915 13.15311038 -27.77906064 -8.52454294 Ni 1.70960170 1.31143450 -0.16166483 -21.07195166 22.23216684 4.05111481 Ni 1.28829595 0.03769167 1.64041416 -3.59839134 -17.10767185 -6.54381682 Ni -0.22187219 1.22744829 1.32834452 11.51723263 22.65456565 11.01724495