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=20558.871943073682 pbc="F T F" Zr -0.08978336 -0.24625450 -0.27442492 40 -22651.85045710 20326.42148300 -19443.14331502 Zr 1.42894801 1.74919593 0.28729118 40 32317.30192235 -26675.08270707 -43966.47723188 Zr 1.74806489 0.19490559 1.40007281 40 13184.77835807 13557.49588721 37163.58548683 Zr -0.10300558 1.66789034 1.43454251 40 -22850.22982332 -7208.83466313 26246.03506007