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=-4.491079246303217 stress="-9.406890422741604 0.722092248886656 -0.937641807113673 0.722092248886656 -10.184403760119947 -1.0778380421225648 -0.937641807113673 -1.0778380421225648 -10.111429317203166" pbc="F F F" Ni 0.25551247 -0.14555376 -0.00811119 -2.84049108 -4.36364985 -4.81447538 Ni 1.56482696 1.34620060 0.01821382 3.40781254 2.61674562 -1.87396236 Ni 1.20575425 -0.03036777 1.65586213 3.64537615 -2.71478116 4.41129234 Ni -0.09604453 1.33226600 1.23049600 -4.21269762 4.46168539 2.27714539