ASE database

Charge Mass atom_E plane_index Username str_E Maximum force
0.000 17285.869 -1.888 100 hecc -168.614 0.004
0.000 17285.869 -0.945 100 hecc -168.287 0.009
0.000 17285.869 -0.243 100 hecc -167.708 0.008
0.000 17285.869 -0.025 100 hecc -165.092 0.005
0.000 17285.869 -1.117 110 hecc -221.327 0.010
0.000 17285.869 0.002 110 hecc -218.530 0.008
0.000 17285.869 -0.299 110 hecc -221.779 0.010
0.000 17285.869 -0.039 110 hecc -222.351 0.007
0.000 17285.869 -0.349 110 hecc -223.965 0.009
0.000 17285.869 -1.248 110 hecc -224.158 0.009
0.000 17285.869 -3.124 110 hecc -223.660 0.007
0.000 17285.869 -1.533 110 hecc -223.013 0.008
0.000 17285.869 -0.424 110 hecc -221.958 0.010
0.000 17285.869 -0.013 110 hecc -218.548 0.008
0.000 17285.869 -0.225 110 hecc -221.255 0.006
0.000 17285.869 -0.004 110 hecc -221.237 0.005
0.000 17285.869 -0.295 110 hecc -223.165 0.005
0.000 17285.869 -0.830 110 hecc -224.334 0.007
0.000 17285.869 -1.888 110 hecc -224.246 0.009
0.000 17285.869 -0.945 110 hecc -222.981 0.005
0.000 17285.869 -0.243 110 hecc -221.174 0.010
0.000 17285.869 -0.025 110 hecc -218.555 0.007
0.000 17285.869 -1.117 110 hecc -221.601 0.009
0.000 17285.869 0.002 110 hecc -218.530 0.010
0.000 17285.869 -0.299 110 hecc -221.672 0.010