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=17.604657549607822 stress="-1.6254019431728788 0.280628826030299 -0.31186464004857267 0.280628826030299 -3.3195224838918644 -2.095637430557584 -0.31186464004857267 -2.095637430557584 -3.1601437937414953" free_energy=17.604657549607822 pbc="F F T"
Ne       0.28187239       0.01001192      -0.01546661      -9.76299565      -7.80126266       5.59142917
Ne       1.60170120       1.37793365      -0.28095614      15.81956619      61.22565217      61.22950711
Ne       1.55363315       0.24624097       1.64302402      17.78014686     -69.29107459     -57.04995214
Ne       0.26531642       1.41192869       1.51943933     -23.83671739      15.86668508      -9.77098414