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=4015.2628149410193 pbc="T F T" I 0.05485698 0.11578766 -0.00282996 53 -6162.86770661 -5177.94038035 1863.46326880 I 1.24360117 1.18921647 -0.26026601 53 17788.86896792 2476.96256967 12581.10077820 I 1.17820062 -0.05920741 1.52815543 53 1429.40494240 -2887.01266548 -2165.26610564 I 0.17060911 1.54761541 1.73851796 53 -13055.40620371 5587.99047616 -12279.29794135