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=24.298439109929056 stress="-2.177621276270235 -0.0019926594928750155 -0.4168340058965208 -0.0019926594928750155 -3.6965184344834947 -0.13691792013293852 -0.4168340058965208 -0.13691792013293852 -3.393252954039431" free_energy=24.298439109929056 pbc="F T T"
Ti       0.25980354       2.96667242       0.27143892     -26.66661585       9.55531152      -9.40822257 
Ti       1.40295338       1.60338854       0.24759167      19.90978483     -12.21413574     -11.44024289 
Ti       1.61018303       2.92518197       1.24663523      25.68532501       9.99200674      18.16100019 
Ti       0.18843096       1.67061300       1.76032810     -18.92849399      -7.33318252       2.68746527