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=17.603294327509555 stress="-1.625401231615589 0.28062890499004245 -0.3118656441895377 0.28062890499004245 -3.319521758892848 -2.095637924965495 -0.3118656441895377 -2.095637924965495 -3.1600835599034447" free_energy=17.603294327509555 pbc="F F T" Ne 0.28187239 0.01001192 -0.01546661 -9.76298610 -7.80125098 5.59142377 Ne 1.60170120 1.37793365 -0.28095614 15.81956085 61.22564765 61.22953297 Ne 1.55363315 0.24624097 1.64302402 17.78013735 -69.29107171 -57.04995786 Ne 0.26531642 1.41192869 1.51943933 -23.83671210 15.86667504 -9.77099889