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: F sc Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000 [3.293369919061661]
CELL_SIZE_MIN: 6
CELL_SIZE_MAX: 8
Smallest System Size: 216
Largest System Size: 512

[Calculation]

Supercell Size:
 6
Unrelaxed Cell:
 [[19.76021951  0.          0.        ]
 [ 0.         19.76021951  0.        ]
 [ 0.          0.         19.76021951]]
Unrelaxed Cell Vector:
 [19.760219514369968, 0.0, 19.760219514369968, 0.0, 0.0, 19.760219514369968]
Unrelaxed Cell Energy:
 -139.7347565872647
Energy of Unrelaxed Cell With Vacancy:
 -139.7347565872647
==========
Loop: 0
Position Relaxation...
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 16:36:24     -138.440916*       0.3699
FIRE:    1 16:36:24     -138.450745*       0.3662
FIRE:    2 16:36:24     -138.469972*       0.3590
FIRE:    3 16:36:24     -138.497770*       0.3484
FIRE:    4 16:36:24     -138.532974*       0.3344
FIRE:    5 16:36:25     -138.574170*       0.3174
FIRE:    6 16:36:25     -138.619795*       0.2975
FIRE:    7 16:36:25     -138.668255*       0.2752
FIRE:    8 16:36:25     -138.723316*       0.2482
FIRE:    9 16:36:25     -138.783806*       0.2163
FIRE:   10 16:36:25     -138.847903*       0.1797
FIRE:   11 16:36:25     -138.913343*       0.1405
FIRE:   12 16:36:25     -138.978361*       0.1449
FIRE:   13 16:36:25     -139.041954*       0.1418
FIRE:   14 16:36:25     -139.099944*       0.1312
FIRE:   15 16:36:25     -139.149661*       0.1150
FIRE:   16 16:36:25     -139.191348*       0.0949
FIRE:   17 16:36:25     -139.222570*       0.0717
FIRE:   18 16:36:26     -139.242998*       0.0459
FIRE:   19 16:36:26     -139.252801*       0.0304
FIRE:   20 16:36:26     -139.253315*       0.0363
FIRE:   21 16:36:26     -139.254283*       0.0349
FIRE:   22 16:36:26     -139.256045*       0.0320
FIRE:   23 16:36:26     -139.258292*       0.0279
FIRE:   24 16:36:26     -139.260646*       0.0227
FIRE:   25 16:36:26     -139.262736*       0.0167
FIRE:   26 16:36:26     -139.264281*       0.0102
FIRE:   27 16:36:26     -139.265161*       0.0082
FIRE:   28 16:36:26     -139.265445*       0.0073
FIRE:   29 16:36:26     -139.265468*       0.0072
FIRE:   30 16:36:26     -139.265512*       0.0070
FIRE:   31 16:36:26     -139.265574*       0.0068
FIRE:   32 16:36:27     -139.265650*       0.0065
FIRE:   33 16:36:27     -139.265734*       0.0062
FIRE:   34 16:36:27     -139.265821*       0.0057
FIRE:   35 16:36:27     -139.265905*       0.0052
FIRE:   36 16:36:27     -139.265989*       0.0046
FIRE:   37 16:36:27     -139.266063*       0.0039
FIRE:   38 16:36:27     -139.266118*       0.0029
FIRE:   39 16:36:27     -139.266146*       0.0018
FIRE:   40 16:36:27     -139.266147*       0.0020
FIRE:   41 16:36:27     -139.266148*       0.0020
FIRE:   42 16:36:27     -139.266151*       0.0019
FIRE:   43 16:36:27     -139.266155*       0.0019
FIRE:   44 16:36:27     -139.266159*       0.0018
FIRE:   45 16:36:28     -139.266165*       0.0017
FIRE:   46 16:36:28     -139.266170*       0.0017
FIRE:   47 16:36:28     -139.266176*       0.0017
FIRE:   48 16:36:28     -139.266183*       0.0016
FIRE:   49 16:36:28     -139.266190*       0.0016
FIRE:   50 16:36:28     -139.266196*       0.0015
WARNING: Max number of steps exceeded. Structure may be unstable.
Relaxation Completed. Steps: 50
Cell Size Relaxation...
Current VFE: -15.294140045899212
Energy of Supercell: -139.7347565872647
Unrelaxed Cell Volume: 7715.699312018695
Current Relaxed Cell Volume: 7160.626852325368
Current Relaxation Volume: 555.0724596933269
Current Cell:
 [[19.90338221  0.          0.        ]
 [ 9.86285998 18.72618129  0.        ]
 [-2.60688815 -0.5400057  19.21210433]]
System Collapsed. System Energy significantly changed.