16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-50.83590067161807 stress="-0.0002873653914348099 -0.0001071223893911137 -4.402238899198524e-05 -0.0001071223893911137 -0.00036622917988635064 1.5355334062287633e-05 -4.402238899198524e-05 1.5355334062287633e-05 -0.00033032438009277914" free_energy=-50.83590067161807 pbc="F F F" Mo 20.89924240 21.06194135 20.77474561 0.77132734 0.61593911 0.91792494 U 22.40855725 22.25979631 22.49454085 0.56743634 1.44561260 -3.42752476 U 24.12757454 20.84629498 20.96055881 -1.20439670 -0.07186821 -1.09117654 Mo 25.41062519 22.37728820 22.78055862 5.85637223 2.51852683 -7.48969940 Mo 21.01701783 23.90454187 21.35281663 -0.09647856 0.51953014 -0.86948929 U 22.89479996 25.74140249 22.73672153 0.83565876 1.14045046 -1.93853942 Mo 23.97188274 23.86575460 20.75381041 0.01557394 -0.03054601 3.49906449 Mo 25.75912702 25.24222034 22.35844045 -1.80620345 -1.15030024 0.35631323 U 21.19291102 20.72817044 23.78613550 -1.72713775 -2.00490335 0.96521955 Mo 22.69673490 22.27584604 25.67171396 -2.55271316 0.88452229 1.06254351 U 24.15809073 20.81702931 23.93585131 -2.98400063 -7.22681913 1.10654770 U 25.23253452 22.52826565 25.23116772 5.17202392 -0.91123597 8.83477764 Mo 21.06799256 24.26554664 24.15599623 -4.34044131 -5.80021124 -2.94552331 U 22.42244881 25.43792997 25.28940289 4.30133656 4.59623791 4.72082215 Mo 24.02728466 23.85646128 23.92360581 -3.01791517 4.68152114 -2.52167482 U 25.69308324 25.30021920 24.99985960 0.20955766 0.79354367 -1.17958566