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=6.456342522785497 stress="-2.1426247577662036 0.3582874841240875 -0.24063218656422072 0.3582874841240875 -2.236168784536948 -0.4536604190929903 -0.24063218656422072 -0.4536604190929903 -2.7271089134467448" free_energy=6.456342522785497 pbc="T T T" Ni -0.14459490 0.11115480 0.11044915 13.15698966 -27.78877070 -8.51795698 Ni 1.70960170 1.31143450 -0.16166483 -21.07010241 22.24614847 4.04633277 Ni 1.28829595 0.03769167 1.64041416 -3.60336801 -17.11206211 -6.53810881 Ni -0.22187219 1.22744829 1.32834452 11.51648076 22.65468434 11.00973302