108 Lattice="13.070189971195203 0.0 0.0 0.0 13.070189971195203 0.0 0.0 0.0 13.070189971195203" Properties=species:S:1:pos:R:3:forces:R:3 energy=-127.2681107707875 stress="-0.014590095428134393 -0.000827512166286155 0.0006839500890958964 -0.000827512166286155 -0.005217149858980211 -0.002792543897088454 0.0006839500890958964 -0.002792543897088454 -0.008044419480247348" free_energy=-127.2681107707875 pbc="F F F" Xe 0.01498001 0.02336526 0.03441615 -0.80875940 -0.94234912 -1.02889752 U 2.17289313 2.20586335 0.00447814 -0.21800028 0.78130954 1.15000488 U 2.12293590 0.01142958 2.23493632 -0.34363182 1.38361317 -0.26497659 Mo 0.01246515 2.21228935 2.21909881 1.61750090 1.11684083 0.73337515 U 4.37653864 0.03382023 0.00838234 1.13427663 0.64686493 0.55715093 Mo 6.51788363 2.19130898 0.03340087 0.21071817 -2.57521466 0.54515457 Mo 6.49704734 0.02854004 2.22119525 2.00323793 1.58101760 -1.41629003 Xe 4.37353845 2.21158128 2.09723866 -0.53184541 -2.13241923 0.47004481 Mo 8.72001843 0.03035370 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8.71955243 10.88782673 10.89100284 0.93205002 -0.46640142 -1.61693263