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=-6.881625570989505 pbc="T F F" Ni -0.18365652 -0.07465759 -0.01433724 28 3.41047870 1.63682023 -4.36820114 H 1.31259128 1.54376171 -0.26665195 1 0.08864626 -1.23322235 0.38776271 Ni 1.69273990 -0.19277068 1.26172667 28 -3.43921726 0.77545957 4.56041626 H 0.25403545 1.38436473 1.73110688 1 -0.05990770 -1.17905745 -0.57997783