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=-31.0270478003979 stress="-3.8613601320904944 0.059809195107017904 0.272952175988964 0.059809195107017904 -5.480152405477524 -0.28538954356258306 0.272952175988964 -0.28538954356258306 -4.640632305714315" free_energy=-31.0270478003979 pbc="F T F" Mo 0.28278197 0.06210000 0.13362859 -37.71760343 -16.53210131 -46.11436651 Mo 1.32702941 1.57034430 0.04852473 49.20123874 8.06102664 -45.28157316 Mo 1.55473499 -0.08438932 1.63661615 35.24096651 -5.93530208 38.54332907 Mo 0.11041876 1.26735611 1.33533445 -46.72460182 14.40637674 52.85261061