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=-6.189560429854581 stress="1.8555013659677282 0.16107880274181646 -0.6173051266290248 0.16107880274181646 1.38824641727849 0.44606899958618995 -0.6173051266290248 0.44606899958618995 1.830834989900465" pbc="F F F" H -0.28678287 0.21736445 -0.21395222 0.47295127 0.67560976 0.46515170 Ni 1.70384132 1.29224623 -0.26785036 -0.84057904 -0.37442012 0.68325991 H 1.50041025 0.25551247 1.35444624 -0.18870918 0.44293965 -0.28026038 Ni -0.00811119 1.56482696 1.34620060 0.55633695 -0.74412929 -0.86815124