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:forces:R:3 energy=39.0729027322 stress="-9.139848370406282 -1.4474064141819822 -0.2967364630295998 -1.4474064141819822 -6.396386933083365 0.5365714586709356 -0.2967364630295998 0.5365714586709356 -9.196680296959904" pbc="F F F" C 0.27219963 -0.06618674 0.13132919 -21.77763515 -19.18322634 -14.00276749 C 1.75978669 1.22592512 -0.21495266 15.79362120 18.02337170 -17.48771750 C 1.68365717 0.20288723 1.58343331 16.96671392 -9.49109213 22.63211320 C -0.20414597 1.44809454 1.72094491 -10.98269997 10.65094677 8.85837179