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=-8.54125292791952 stress="-0.20360526552831668 0.05306235821196382 -0.15952862094544376 0.05306235821196382 0.2645117042870496 0.01421254041242291 -0.15952862094544376 0.01421254041242291 -0.031017481261103166" pbc="F T T" H 0.11914341 -0.22923679 -0.11385445 0.04634085 -0.08395316 -0.03960637 Ni 1.33178173 1.13618486 -0.23807589 4.31708576 -1.15647282 3.31795093 H 1.22558687 -0.05868150 1.59114089 -0.05075971 0.05192904 0.03535591 Ni 0.04530481 1.40489629 1.62593290 -4.31266690 1.18849694 -3.31370047