12 Lattice="6.40682628733917 0.0015001343674054095 0.0 -3.2021139890964405 5.546370144553326 0.0 2.9033495822915783e-18 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-85.4648178353444 stress="5.868783342642399e-07 5.0478861573686695e-06 6.7441110974106495e-06 5.0478861573686695e-06 1.1571809693267663e-06 2.269397282785914e-06 6.7441110974106495e-06 2.269397282785914e-06 4.373031702916217e-05" dipole="-1.2586328045756393e-13 1.2575470885196627e-14 7.189149942877319e-14" magmom=0.0 free_energy=-85.48319386971004 pbc="T T F" W 0.00129915 5.54712021 16.59500000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Mo 3.20471230 5.54787028 16.59500000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 W 1.60235615 2.77393514 16.59500000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Mo 4.80576929 2.77468521 16.59500000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 S 1.60479071 0.92655061 18.17343054 0.00000000 -0.00183521 -0.00088844 0.00102196 0.00000000 S 4.80030130 0.92273845 18.17512001 0.00000000 0.00057678 0.00046839 0.00019398 0.00000000 S 0.00373372 3.69973568 18.17343054 0.00000000 -0.00183521 -0.00088844 0.00102197 0.00000000 S 3.19924431 3.69592352 18.17512001 0.00000000 0.00057678 0.00046838 0.00019398 0.00000000 S 0.00546799 1.85194676 15.01487999 0.00000000 -0.00057678 -0.00046838 -0.00019398 0.00000000 S 3.20097858 1.84813460 15.01656946 0.00000000 0.00183521 0.00088844 -0.00102197 0.00000000 S -1.59558900 4.62513183 15.01487999 0.00000000 -0.00057678 -0.00046839 -0.00019398 0.00000000 S 1.59992159 4.62131967 15.01656946 0.00000000 0.00183521 0.00088844 -0.00102196 0.00000000