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=130.79491163287472 stress="-13.366525919018146 -3.533436262455451 -0.9335960624848125 -3.533436262455451 -14.290885913760508 3.2244566534422376 -0.9335960624848125 3.2244566534422376 -11.380177564566468" free_energy=130.79491163287472 pbc="T T F" Mo -0.13449789 -0.21197381 0.22277084 95.89641975 130.22926411 -115.86984596 Mo 1.68584377 1.68362810 0.19581920 -122.54471391 -66.76866975 -111.97928929 Mo 1.64685009 0.42259636 1.67626233 -64.71747413 -45.11236313 81.64218047 Mo -0.14597521 1.70996341 1.49207130 91.36576830 -18.34823124 146.20695478