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=2628.95330478925 stress="-237.86468853809 40.12335383992393 -44.81321754218844 40.12335383992393 -478.6080037544637 -298.8833971354487 -44.81321754218844 -298.8833971354487 -459.0506302723331" free_energy=2628.95330478925 pbc="F F T"
Kr       0.28187239       0.01001192      -0.01546661   -1446.95530603   -1168.39261088     813.87768078
Kr       1.60170120       1.37793365      -0.28095614    2315.26596950    8783.05390521    8758.98862473
Kr       1.55363315       0.24624097       1.64302402    2602.01240097   -9936.62967977   -8157.07544876
Kr       0.26531642       1.41192869       1.51943933   -3470.32306444    2321.96838543   -1415.79085675