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=-7.7031372432360286 stress="-0.002310558419879396 0.00023175204518316586 0.00033721845234045787 0.00023175204518316586 -0.0016466154183641104 -0.000381131204151775 0.00033721845234045787 -0.000381131204151775 -0.0019313490165906195" free_energy=-7.7031372432360286 pbc="F F F" Mo 20.91870436 21.04860922 21.20118821 -4.23136605 -2.21766238 -4.16984241 Mo 22.70960170 22.31143450 22.33833517 -9.27424660 19.80996384 4.12981000 Mo 23.78829595 20.83509776 21.14041416 7.85375553 -12.39993152 -11.44071577 Mo 25.27812781 22.79098848 22.26215777 10.46187013 -5.38391706 4.99751321 Mo 20.87679405 24.09027739 21.20259391 -7.51151731 -5.11962067 -4.37995600 Mo 22.56504129 25.20865944 22.36550211 -18.17429126 28.34427775 23.02273731 Mo 23.78802619 24.22277084 21.18584377 18.72509902 -11.67819488 -32.06799429 Mo 25.40955323 25.48086654 22.83050726 4.28142610 4.13530737 -4.68548863 Mo 21.26959405 21.17626233 23.85402479 -8.02382095 -2.82885858 6.35312132 Mo 22.91285063 22.57550460 25.65300231 -7.53604383 -5.96693422 10.87302193 Mo 23.83433719 20.95774659 23.86661612 6.85293071 -9.60684241 4.00494607 Mo 25.45789336 22.38825682 25.27041603 6.53922235 0.99820762 1.40542537 Mo 21.19178619 24.17895518 24.29140871 -8.14533048 -3.68812772 -1.71622478 Mo 22.83549850 25.53253581 25.64904689 -8.03883369 11.17860452 11.20957699 Mo 23.78091226 24.10609294 24.19775543 5.93662219 -9.75678980 -15.54606600 Mo 25.30598025 25.50347925 25.33545096 10.28452414 4.18051813 8.01013569