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=300.65465646444295 stress="-50.12459472120849 5.9972516624129035 -6.279411294681429 5.9972516624129035 -52.151425416793565 -22.746623449712843 -6.279411294681429 -22.746623449712843 -54.954041250446" free_energy=300.65465646444295 pbc="T T F"
U       0.02103145       2.77761356       0.18220204    -597.04682744     301.71010257    -354.01189195 
U       1.39362841       1.73573857       0.02724172     371.00081081    -750.04555097    -792.15281051 
U       1.27538150       2.70296332       1.34887301     490.96842863     629.79225407     974.22893038 
U       0.22083292       1.28984966       1.48735431    -264.92241200    -181.45680567     171.93577207