16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=123.78676161763381 stress="-0.034400865945522 -0.018584167119351618 0.011316991773107613 -0.018584167119351618 -0.02998920856223992 0.012867253583083871 0.011316991773107613 0.012867253583083871 -0.041735507674469235" pbc="F F F" Sg 21.11201824 20.88397397 21.49948729 -21.07519634 -3.71845582 -217.03846704 Sg 22.76497356 22.63325085 22.65511129 -206.00276552 -156.86780623 55.19955686 Sg 23.97198756 20.97682487 20.98161039 -9.86268588 -37.10804941 -34.52146843 Sg 25.61082835 22.33844810 22.55598610 319.64467493 242.05753879 -202.11743120 Sg 21.03609947 23.80734827 21.04869630 -8.14108937 8.45675113 -17.47693500 Sg 22.73637543 25.71394378 22.68573759 -7.26196822 201.79537361 -154.64351512 Sg 24.00660120 23.71060247 21.01805438 104.75727152 141.48344551 -229.97821787 Sg 25.51112335 25.26651400 22.52839774 693.05414326 566.15810118 -638.61622077 Sg 21.27969081 20.86051989 23.85645783 -14.30567896 -33.71838669 206.55297446 Sg 22.74117012 22.32557770 25.48979744 -53.78398674 35.37692912 25.22596387 Sg 24.23008317 21.01022462 23.73795371 -199.86887208 -363.95704419 255.48114525 Sg 25.27806993 22.57175580 25.59030242 73.94566466 -18.61744824 29.00966573 Sg 21.22746636 24.20313075 23.78060060 -263.60262059 -171.44485746 -68.53093874 Sg 22.20836786 25.32279169 25.57847642 119.05227098 113.18308731 188.53893498 Sg 24.20678852 24.19450202 23.80102731 -590.98964327 -612.04565800 691.55566930 Sg 25.34185393 25.21745499 25.66145986 64.44048162 88.96647941 111.35928373