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=-0.13593710706121342 stress="-76.13086620186345 17.03647222251569 -7.16948726566163 17.03647222251569 -83.90791552677425 3.0564647993440985 -7.16948726566163 3.0564647993440985 -75.7218793679038" pbc="F F F" Mo -0.12320595 -0.04105180 0.20259391 -27.37967954 -18.50746728 -19.45242494 Mo 1.56504129 1.20865944 -0.13449789 18.99608706 15.83717534 -26.00110036 Mo 1.28802619 0.22277084 1.68584377 37.56652917 -40.37753832 33.61023904 Mo 0.18362810 1.69581920 1.64685009 -29.18293669 43.04783026 11.84328626