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=32.444534726755435 stress="-4.1383847800407025 -0.4043703539668865 -0.429155580318526 -0.4043703539668865 -4.0167858995263765 -0.15323566453888315 -0.429155580318526 -0.15323566453888315 -4.639430959825598" free_energy=32.444534726755435 pbc="T T T" Mo 2.85540510 0.11115480 0.11044915 1.81132079 9.45612121 -0.14403195 Mo 1.70960170 1.31143450 2.83833517 0.73042280 -9.56421010 -1.77183788 Mo 1.28829595 2.71189181 1.59936236 -7.07651279 -2.23792803 1.21176245 Mo 2.77812781 1.72138276 1.39338581 4.53476920 2.34601691 0.70410738