Enter the name of the KIM Model you wish to perform calculations for:
Enter the name of the species you wish to simulate:
Enter the lattice type of the crystal ('bcc', 'diamond', 'fcc', 'hcp', or 'sc'):
Enter the lattice constant 'a' in meters:
If the lattice type is hcp, enter the lattice constant 'c' in meters (if you are not using hcp as the lattice, simply put any value here, as it will be ignored):
Parameters Input: O Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 sc [2.068094775080681]
Cell Size Min: 6
Cell Size Max: 8
Smallest System Size: 216
Largest System Size: 512

[Calculation]
Calculating Size 6 ...
[ERR1047]FIRE Failed: Steps Exceeds Maximum.
Vacancy Formation Energy May Not Be Accurate.
[ERR1047]FIRE Failed: Steps Exceeds Maximum.
Vacancy Formation Energy May Not Be Accurate.
       Step     Time          Energy         fmax
MDMin:    0 15:23:27     -113.571574       13.3884
MDMin:    1 15:23:28     -120.998137       16.9107
MDMin:    2 15:23:28       42.038256      442.7076
MDMin:    3 15:23:29      594.507892     1777.4444
MDMin:    4 15:23:29     1121.722550     3035.8187
MDMin:    5 15:23:29     2666.671537    10297.7546
MDMin:    6 15:23:30     5776.017590    14030.6021
MDMin:    7 15:23:30     2683.299185    13477.5095
MDMin:    8 15:23:31     7548.852678   142681.5008