4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.954220652233714 stress="-53.01954092874964 53.9358983391222 17.921352632282115 53.9358983391222 -43.67196781174024 -30.543547431563635 17.921352632282115 -30.543547431563635 -136.09487221615265" pbc="F T F" user01 0.24624097 0.14302402 -0.14501107 8.79690456 -14.53296792 -167.02570860 user01 0.86042859 0.95947124 -0.14487149 21.41099433 -32.73213719 -25.21708102 user01 0.61706443 -0.08666117 0.59655491 41.53359321 -24.88132306 88.68321048 user01 -0.09481051 0.47202818 0.53415296 -71.74149211 72.14642817 103.55957913