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=-120.62401251210473 stress="-0.0003597081595875813 0.00011245556448883704 0.00014964989173050974 0.00011245556448883704 -0.0002739007882806328 -4.683755746293846e-05 0.00014964989173050974 -4.683755746293846e-05 -0.0002998190906496367" free_energy=-120.62401251210473 pbc="F F F" Mo 20.91870436 21.04860922 21.20118821 -0.00115506 0.11588976 0.11270840 Mo 22.70960170 22.31143450 22.33833517 -4.16867035 0.93336870 -0.38506190 Mo 23.78829595 20.83509776 21.14041416 2.06919931 -2.40555703 -2.04542637 Mo 25.27812781 22.79098848 22.26215777 3.10834888 -2.00484272 0.36125761 Mo 21.00812325 23.95894820 21.46238060 -4.12530641 -2.63877499 -1.23492452 Mo 22.56504129 25.20865944 22.36550211 -4.75459630 9.74018529 6.59019751 Mo 23.78802619 24.22277084 21.18584377 6.84647195 -2.37621031 -8.28128553 Mo 25.68362810 25.69581920 22.37277522 -1.12832695 -1.80941602 0.62473181 Mo 21.05464139 21.35991950 23.85402479 -0.05522963 0.37703189 1.18820028 Mo 22.91285063 22.57550460 25.44885634 -3.06751819 -3.80184671 3.72200692 Mo 23.98657770 20.95774659 23.91852158 1.52913130 -0.75254693 0.74803821 Mo 25.67883827 22.38825682 25.50213148 -1.22457170 1.03278015 -1.04048049 Mo 21.19178619 24.17895518 24.29140871 -1.37192498 -0.99065425 -1.04908393 Mo 22.79645686 25.53253581 25.64904689 0.53392448 0.57592616 0.50427241 Mo 23.78091226 23.92792791 23.96603997 6.63906040 5.19645929 1.43548241 Mo 25.51817278 25.24642973 25.64352264 -0.82883676 -1.19179228 -1.25063283