864 Lattice="44.77487127267184 0.0 0.0 0.0 44.77487127267184 0.0 0.0 0.0 44.77487127267184" Properties=species:S:1:pos:R:3:forces:R:3 energy=-624.6126547867544 stress="-4.341433278837236 -0.4763182806960877 -0.6709341120546481 -0.4763182806960877 -4.226831965664093 0.5223867667744475 -0.6709341120546481 0.5223867667744475 -3.6675562676847253" pbc="F F F" Cs 0.01428622 0.04994892 -0.07173450 0.02470620 0.03273495 0.03262783 Cs 3.62934130 3.65815484 -0.00650378 0.02087778 0.02938715 -0.01010453 Cs 3.70833574 0.00751519 3.70505914 -0.00327700 -0.01470188 0.01607225 Cs -0.00472493 3.77796125 3.74492923 -0.02565779 -0.01100686 0.01345023 Cs 7.45976225 0.04288859 -0.06500712 -0.00093248 0.01602313 0.01644907 Cs 11.23724868 3.69518794 0.00424498 0.00793002 0.02385100 -0.01228744 Cs 11.26427527 -0.03279455 3.67482937 -0.02176472 -0.00703379 0.02853321 Cs 7.41079925 3.70827357 3.66415087 0.02231229 0.00699210 0.01354726 Cs 14.89029906 -0.05313634 0.04173130 0.02108989 0.01409782 0.01920230 Cs 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