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=29076.374010036154 stress="-5372.213562678593 2105.9415927992645 1459.259263446547 2105.9415927992645 -4858.868824109252 675.5586478131262 1459.259263446547 675.5586478131262 -3162.6819413303206" pbc="T F F" Mo -0.29163214 0.07847642 0.20678852 9807.03774353 -24647.56613157 -23014.10984918 Mo 1.52244494 1.50482954 0.16145986 30455.47060623 34214.16704242 -54590.91937012 Mo 1.28688503 0.25216238 1.31810581 35902.99399220 -78174.87805719 39936.03766332 Mo 0.23549132 1.47722679 1.22981220 -76165.50234197 68608.27714633 37668.99155598