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=-6.361463161932331 stress="-2.884055930242269 0.03063000741049023 0.10979830803881009 0.03063000741049023 -3.030351551754787 0.020131641059583875 0.10979830803881009 0.020131641059583875 -2.0513062275242016" free_energy=-6.361463161932331 pbc="T T F" Mo -0.21197381 0.26125400 0.18584377 8.50993058 -3.39778647 -20.83227632 Mo 1.68362810 1.65356579 0.14685009 -5.08476304 4.26322760 -20.65407943 Mo 1.76959405 0.36804852 1.35402479 -6.22935087 -2.98491988 21.02891053 Mo 0.20996341 1.67102648 1.65300231 2.80418333 2.11947874 20.45744522