tip_si4.xyz -6 0 10.93618 0 0 0 6.24 5.41 2.02466 76.5 0.22 50 11 9 0 3.4 si001_3x1h.xyz 0 0 0 0 0 0 10.80738 2.63117 7.53618 76.5 0.22 50 DFTB_STM brief description of this calculation h-c-si 160.00000 41.00000 172.00000 40 40 0 0 1.0 0.001 0.10000 10 150 0.1 off conical 0.00000 0.22000 120.000 1000.00 1.00000 3 3 0 4 50 -0.1 0.10000 4 11.51877 0 0 0 3.83959 0 0 0 100 .\ atpos.mvf force_x.csv force_y.csv force_z.csv freq_shift.csv ene_lev.txt current.csv current_spectro.csv curr_volt.csv LCPD.csv