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=-5.831063819110274 stress="1.7671562226043938 -0.22571610346040494 0.5192589324150126 -0.22571610346040494 1.5789052197950615 0.6082125621206044 0.5192589324150126 0.6082125621206044 1.4813459137198586" pbc="F F F" H -0.26874888 -0.28175649 0.13616082 0.53896513 0.53053839 0.64690744 H 1.26429260 1.62968218 0.21980528 -0.09713937 -0.17484767 0.42311277 Ni 1.79977655 0.18543805 1.45460942 -0.84976719 0.35645648 -0.46448453 Ni 0.07327937 1.69989723 1.62961200 0.40794142 -0.71214720 -0.60553568