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=52.45559211840513 pbc="T T F" U -0.22461850 -0.29703668 -0.15112699 92 20.15034708 21.11847171 -31.59901382 U 1.72083292 1.55105721 -0.01264569 92 -37.49224874 -16.04091505 -41.30331580 U 1.42299150 -0.09301634 1.68107110 92 -25.66231982 42.97486592 22.69448868 U -0.17174679 1.63102478 1.59995250 92 43.00422147 -48.05242258 50.20784094