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=13.349047697014203 stress="-0.4444564263312564 0.017827081376407376 0.001086057873819616 0.017827081376407376 -0.4139493911221276 0.012584975523449976 0.001086057873819616 0.012584975523449976 -0.38447066371412025" free_energy=13.349047697014203 pbc="T T T"
Ti       0.20947124       2.85512851       0.05280714      -0.95357760      -0.73691163      -0.65391210 
Ti       1.41333883       1.34655491       2.87241235      -0.40263387      -0.38268460       0.71766157 
Ti       1.32230844       2.61294905       1.22286420       0.21961834       0.68896153       1.36377687 
Ti       2.93858073       1.25205420       1.65488783       1.13659312       0.43063470      -1.42752635