32 Lattice="8.115939190637418 0.0 0.0 0.0 8.115939190637418 0.0 0.0 0.0 8.115939190637418" Properties=species:S:1:pos:R:3:forces:R:3 energy=-107.65031448609646 stress="-0.014491061840702231 -0.0023395062995926934 -0.002728466473109392 -0.0023395062995926934 -0.014325988857182257 -0.0005271848510073555 -0.002728466473109392 -0.0005271848510073555 -0.014045986189066835" free_energy=-107.65031448609646 pbc="F F F" Mo 0.02554196 0.02503652 0.04606749 -0.27354681 -0.25016001 -0.12336558 Mo 2.04693413 1.99982008 0.03992637 0.11648654 0.96954613 -0.89246910 Mo 2.05247828 0.02183884 2.05281191 0.48797866 -0.85206035 0.50221704 Mo 0.00918799 2.04817316 2.06594515 -0.53211421 0.59264466 0.47566369 Mo 4.07385020 0.02704099 0.00539762 -0.92271380 -0.91088569 -0.61106401 Mo 6.05031301 2.01037104 0.01045142 0.76772513 1.07209166 -0.83830398 Mo 6.07955435 0.02414048 1.99235347 0.46812213 -0.58531050 1.12499718 Mo 4.06375303 2.02253001 2.00138687 -0.70534712 0.82845497 1.87257889 Mo 0.03739694 4.09539967 0.02015147 -0.27526466 -1.06665606 -0.34061153 Mo 2.03859876 6.09567892 0.04040764 0.65815332 0.39812878 -0.56796202 Mo 2.05644459 4.00591379 2.04182542 0.44720121 0.10191365 1.18091889 Mo 0.04489378 6.09047057 2.03363520 -0.33815211 0.23759790 0.91305341 Mo 4.01610861 4.03737678 0.00686082 -0.07706348 -0.14835134 -0.65603569 Mo 6.09589178 6.10139432 0.03218147 -0.13579233 -0.17973561 -0.02092142 Mo 6.05442243 4.03082950 2.02070802 0.65533895 -0.29693337 0.34003577 Mo 4.04240339 6.09368083 2.02274844 -0.48589617 0.34113451 0.86002856 Mo 0.03466936 0.01340891 4.08358473 -0.55716436 -0.55185572 -0.86576554 Mo 2.05841616 2.00354441 4.04983274 0.46848266 1.77471396 -0.93698497 Mo 2.06184533 0.03171206 6.05224154 0.26425348 -0.80136945 0.87066238 Mo 0.00313407 2.01458829 6.08119068 -0.32567457 0.62140109 0.32196115 Mo 4.05976039 0.00904082 4.06031323 0.14930708 -0.58445984 -0.79386610 Mo 6.09564121 2.03573409 4.05150599 0.17305353 0.60628216 -0.58024508 Mo 6.11996253 0.06123463 6.11050599 -0.17997998 0.01464505 -0.00283453 Mo 4.01656813 2.04019102 6.05424754 0.33615924 0.86530703 0.59725201 Mo 0.00870838 4.07433708 4.08564650 -0.43449557 -1.02105132 -1.10641189 Mo 2.03005231 6.06641891 4.09495245 1.03040828 0.46004790 -1.06584189 Mo 2.01258888 4.02202437 6.07518779 0.97544226 -0.29131414 0.49407130 Mo 0.01556786 6.08167652 6.07424092 -0.24370164 0.24545341 0.42117539 Mo 4.09253821 4.09013511 4.03820563 -1.32792745 -1.46204058 -0.47353820 Mo 6.12193161 6.07580237 4.02907717 0.21350480 0.24346761 -0.39330017 Mo 6.07848887 4.05462007 6.11338030 0.43116834 -0.83298009 0.07339405 Mo 4.09256280 6.04455375 6.09963037 -0.82795133 0.46233358 0.22151200