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:Z:I:1:forces:R:3 energy=4361544.988174229 pbc="T T T" Ni 0.19062768 0.06568946 0.07496200 28 -18827865.03102259 -46523.49678156 -24575068.60208368 Ni 0.95203188 0.61701988 0.28131484 28 14267948.23497279 19332209.59916278 -15105670.54697183 Ni 0.65340675 0.01512430 0.71251333 28 9111812.24068226 -23434050.73701875 36942907.58239610 Ni 0.19682049 0.83572081 0.76514363 28 -4551895.44463243 4148364.63463754 2737831.56665940