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=78.57978819723455 stress="-7.826047440951867 0.3500353101324768 -0.6998912024538871 0.3500353101324768 -12.931885688262348 -0.39922841181720237 -0.6998912024538871 -0.39922841181720237 -12.013264202238743" free_energy=78.57978819723455 pbc="F T T"
U       0.07327937       0.19989723       0.12961200     -85.48328373     -19.73424386     -51.17772335 
U       1.37425859       1.65720406       2.76564846      83.90290036      27.51475654     -19.44037509 
U       1.38507600       0.29768454       1.20029576      84.00163388     -36.64001738      30.71627139 
U       0.17089611       1.47011124       1.20220318     -82.42125051      28.85950470      39.90182706