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=-5.327877457934194 stress="2.1417919978057 -0.6608039068435787 -0.038498304596922495 -0.6608039068435787 2.4603995871941526 1.053556598940853 -0.038498304596922495 1.053556598940853 2.4614415715565023" pbc="F F F" Ni -0.09604453 -0.16773400 -0.26950400 0.46895089 0.60312620 0.83844376 H 1.62036030 1.56512562 0.24843919 -0.68865097 -0.06814168 0.54910624 H 1.64432661 -0.23976508 1.74849743 -0.74921441 0.69864581 -0.29683871 Ni 0.25911890 1.69019325 1.69877714 0.96891450 -1.23363033 -1.09071129