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=8077.796816525959 pbc="T F T" Cf 0.23929497 0.20919337 0.08727863 98 3683.15337518 -14202.28230239 -14487.23708732 Cf 1.78296178 1.65575200 -0.20953401 98 -2982.78197008 3967.79160995 2364.71440452 Cf 1.75406401 0.11146389 1.51156687 98 -15013.38212935 -16267.12351531 1416.41397600 Cf -0.01411445 1.21566415 1.38986252 98 14313.01072424 26501.61420775 10706.10870679