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=35495.77976916897 stress="-5329.869261513376 2709.5997022016295 1199.9748036622807 2709.5997022016295 -6168.6721754655455 1553.795628881847 1199.9748036622807 1553.795628881847 -4628.5158897340925" pbc="F T T"
Sc       0.23551592      -0.28813238       0.26795892  -98058.06580942  114025.27280923  -23932.18399248 
Sc       1.45413376       1.77984052      -0.11417430   98530.41137750  -89879.24709452   -9374.13679015 
Sc       1.44869332       0.02428668       1.63330016   16945.57348776   22710.71970718  -10495.96160934 
Sc       0.04734385       1.52606062       1.40978915  -17417.91905584  -46856.74542189   43802.28239197