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=52285.887109673014 stress="-203919.2353641435 26628.6462516462 19647.812294196367 26628.6462516462 -245667.55658294924 -1695.1717066542187 19647.812294196367 -1695.1717066542187 -187599.42287139225" pbc="F F F"
Ac      -0.06254558      -0.22153142      -0.00548572  -74723.98567826  -58780.58555815  -36509.82331012 
Ac       1.34126820       1.34140700      -0.18331863   76332.07022694   54116.07609687  -71313.47892402 
Ac       1.41986395      -0.25603453       1.59073906   84782.21424646  -90757.34048249   38660.86769409 
Ac       0.27219963       1.43381326       1.63132919  -86390.29879514   95421.84994377   69162.43454006