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=-5.544102144241737 stress="-5.444394275965207 0.2463938131606091 -1.1410190405271434 0.2463938131606091 -7.232867636727977 -2.375842117474428 -1.1410190405271434 -2.375842117474428 -6.2464096913169955" pbc="F F F" Ni -0.14459490 0.11115480 0.11044915 -2.20948582 -3.74105523 -3.53608864 Ni 1.58639575 1.27038270 -0.16166483 1.46343819 1.14497902 -0.90229005 Ni 1.28829595 0.03769167 1.64041416 2.02080882 -1.51998852 1.90791739 Ni -0.15683090 1.51878885 1.32834452 -1.27476119 4.11606474 2.53046130