108 Lattice="13.077419755606316 0.0 0.0 0.0 13.077419755606316 0.0 0.0 0.0 13.077419755606316" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-124.25376294293754 pbc="F F F" Mo -0.02293064 -0.02300225 0.01496056 42 1.12619894 0.80526721 1.15434298 U 2.15671088 2.20608073 0.02048754 92 0.06802769 0.24382161 1.10771459 Mo 2.19225392 0.00036543 2.19704864 42 0.37635654 0.48455531 -1.96273234 U -0.03077695 2.21366038 2.16525487 92 1.28976910 0.67893434 -0.35728950 Mo 4.36792869 0.03198650 -0.04084380 42 0.05318551 0.90745733 1.74411707 U 6.50404825 2.16131125 -0.00218713 92 -0.06035040 -0.23765868 1.58669271 Mo 6.55296853 -0.03671115 2.16008962 42 -0.71497091 1.49577281 -1.34785317 U 4.31939099 2.15542215 2.20117452 92 0.52881455 -0.25841050 -0.60969382 Mo 8.74681161 0.03158020 -0.00091495 42 -0.69399097 1.49629550 0.78705055 U 10.87890785 2.21043672 0.01542162 92 -1.49950380 0.14512040 2.09174670 Xe 10.85793241 -0.01147095 2.21967457 54 2.47878831 -0.62741646 -1.66666170 Mo 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