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:Z:I:1:forces:R:3 energy=2241.889527250671 pbc="F T F"
Es       0.14604221       0.03434906      -0.19506218       99   -1418.13666646   -1331.30359704   -2619.74521144 
Es       1.60807227       1.41512834       0.02416735       99    2516.03257943    1610.03575719   -2069.50666828 
Es       1.22140470       0.25755422       1.54944316       99    4691.59634476   -4822.55404427    3751.71124628 
Es      -0.07208871       1.44027964       1.17497878       99   -5789.49225773    4543.82188413     937.54063344