32 Lattice="7.471360308803618 0.0 0.0 0.0 7.471360308803618 0.0 0.0 0.0 7.471360308803618" Properties=species:S:1:pos:R:3:forces:R:3 energy=-109.90393905407292 stress="0.010958732219621927 0.006160570611520578 0.024959315701999097 0.006160570611520578 -0.023502884845091065 0.01978103772838032 0.024959315701999097 0.01978103772838032 -0.03010801341427998" free_energy=-109.90393905407292 pbc="F F F" S 0.02014367 0.03609109 0.04550059 0.04485353 -1.51982350 -0.08481903 S 1.88064751 1.89355237 0.03393946 0.84285077 -1.98853224 -2.03981164 Mo 1.89086724 0.02872563 1.89302457 -3.20792464 2.12272878 -2.28509886 S 0.06532749 1.85613740 1.84839730 -0.24560575 0.37736975 3.39665129 Mo 3.75156268 0.01649731 0.00646401 1.92047372 2.41574240 1.60096002 S 5.61415378 1.83132425 0.02535649 1.49980381 0.36753527 -2.16493961 S 5.58674967 0.00779746 1.89063957 0.91393739 -2.39607735 1.77079956 S 3.72584351 1.87564359 1.88889635 -1.10964948 0.54759191 1.48630670 S 0.01271047 3.75958414 0.01228379 1.27154734 0.98096281 -1.31656293 Mo 1.88161450 5.59100870 0.03689005 -1.45183924 -0.02930457 -1.34483729 Mo 1.82761315 3.71239400 1.85258905 0.79132382 -4.69787585 -1.15125140 S 0.01315832 5.55939428 1.83070758 -0.44666657 -0.12299941 0.60302840 S 3.75252229 3.72782692 0.06000016 -2.19772350 2.66444715 0.04095308 S 5.60742504 5.57903718 0.02807591 0.29746382 -0.03012239 1.86341174 Mo 5.63311983 3.69489693 1.83966813 -0.49095161 0.14332127 -1.28480750 Mo 3.74466613 5.61513709 1.87074487 1.44209287 1.96534973 1.02258366 Mo 0.02733531 0.02508305 3.76859089 -0.63260538 -0.78635639 -0.33546614 Mo 1.87575654 1.87186091 3.75716175 2.59633749 1.21216531 0.04501565 S 1.83915013 0.01419890 5.62134355 0.68251688 1.05955467 -0.59843870 Mo 0.02958641 1.85944299 5.58879208 1.01542521 -0.65688978 3.01171785 Mo 3.73603261 0.02490356 3.70541701 1.22282174 -1.75346365 0.14644408 Mo 5.63913518 1.83756896 3.73833549 1.22536268 -2.90322671 -1.59335974 S 5.62759885 0.01526806 5.63646854 -2.21901544 1.47149217 -2.26383716 Mo 3.72885898 1.85077484 5.59930432 -3.26223900 -0.40407688 3.70528899 Mo 0.02260557 3.70820150 3.75769722 1.73244464 3.21485434 -0.42617958 S 1.87006210 5.62217739 3.74666209 2.84721839 0.96922583 -2.02010031 S 1.84811107 3.75947876 5.63273110 0.76016124 -3.44188456 1.80079051 S 0.01698692 5.58627809 5.55235334 -1.78164797 0.21837730 -0.17886111 Mo 3.75710154 3.75108614 3.70574301 -4.62876806 0.34517603 0.97544146 S 5.56822947 5.58183460 3.71828874 -0.72193889 -0.23962796 -0.41901025 Mo 5.60822817 3.75245645 5.56469375 2.90366880 0.61505292 0.24070859 Mo 3.73534663 5.56708268 5.56825497 -1.61372861 0.27931361 -2.20272034