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=33377.877180749834 stress="-4369.184897294682 1062.455105975296 -1448.3041196545194 1062.455105975296 -5866.5426280655065 547.8891589753177 -1448.3041196545194 547.8891589753177 -5057.032695306619" pbc="T T T"
Sc      -0.24077594       0.02205213       0.21849485   32111.01988029   15353.99785155  -33318.90203331 
Sc       1.63637664       1.34588968      -0.01622610  -63378.39218616    8056.14696474  -44485.12549036 
Sc       1.50412471      -0.14565786       1.67277376  -30077.78936378   19331.76378369    5640.52966346 
Sc      -0.29561604       1.66338280       1.21370983   61345.16166964  -42741.90859998   72163.49786020