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=-106.63306797577722 stress="0.00020166450756136596 1.3418514100751525e-05 -5.037104934909303e-05 1.3418514100751525e-05 0.00019402648842322504 9.25842955194297e-05 -5.037104934909303e-05 9.25842955194297e-05 0.0002214054532958706" free_energy=-106.63306797577722 pbc="F F F" Mo 20.81425730 20.98844065 21.03277713 1.04300642 1.55434902 0.60668462 Mo 22.39971974 22.37366136 22.46097674 0.34502454 2.52398945 -2.14973376 Ni 23.80250343 21.21813893 20.76716069 -0.04834395 0.89776981 1.08060020 Mo 25.69410236 22.51841841 22.38201197 -1.79241490 -0.50257924 1.24674778 Mo 20.93300593 23.72002482 20.77696427 1.14819475 -1.05523592 1.23017360 Ni 22.41661558 25.46512192 22.74602314 0.78425509 -1.27335200 0.02765118 Ni 24.29391194 23.72614529 21.02103145 -0.67184332 0.66564129 1.08688337 Mo 25.27761356 25.68220204 22.39362841 -1.32726170 -1.56873552 0.58442324 Mo 21.23573857 21.02724172 23.77538150 -0.74389667 -0.96987147 1.38290169 Mo 22.20296332 22.34887301 25.72083292 1.00418727 0.04322345 -1.34254638 Ni 23.78984966 20.98735431 23.92299150 0.31962020 1.35162816 0.24827882 Ni 25.28669143 22.68107110 25.32825321 0.45846821 -1.54233078 0.08520196 Ni 21.13102478 24.09995250 24.53832284 1.14318147 -0.70277036 -0.88881260 Ni 22.51193751 25.75226748 25.46431997 0.55225580 -0.81558902 -0.84489307 Mo 24.04396501 24.07236142 24.20379337 -3.51224198 0.15092931 -2.81452857 Ni 25.61725714 25.02135257 25.28229695 1.29780878 1.24293382 0.46096792