4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2.9890152174097686 stress="-23.770568238724394 -1.8034585933258171 -2.581171615765861 -1.8034585933258171 -39.118808005265414 8.94613852017197 -2.581171615765861 8.94613852017197 -22.285449157883086" pbc="F F F" S -0.21770305 0.02031036 0.18745344 -9.68226198 -6.84974148 -10.08930453 Mo 1.52015752 1.37970777 0.27711528 7.73631247 17.11050971 -12.07280246 Mo 1.37871118 -0.24786923 1.23125112 6.29375738 -17.21771500 15.04490491 S -0.28175649 1.63616082 1.26429260 -4.34780786 6.95694677 7.11720208