element(s):
['C', 'Fe']
AFLOW prototype label:
AB3_hP8_182_c_g
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.998', '0.90814326', '0.31261232']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.31261232 0.         0.        ]]
spacegroup =  182
cell =  [[4.998, 0, 0], [-2.499, 4.3283949681146, 0], [0, 0, 4.5389]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:22:20      -38.266694         2.471505
BFGS:    1 13:22:20      -38.595079         2.338085
BFGS:    2 13:22:20      -39.020703         2.124470
BFGS:    3 13:22:20      -39.394849         1.880799
BFGS:    4 13:22:20      -39.711082         1.606573
BFGS:    5 13:22:20      -39.963472         1.302387
BFGS:    6 13:22:20      -40.147541         0.970830
BFGS:    7 13:22:20      -40.262058         0.618488
BFGS:    8 13:22:20      -40.313669         0.321998
BFGS:    9 13:22:20      -40.329983         0.379473
BFGS:   10 13:22:20      -40.372232         0.424418
BFGS:   11 13:22:20      -40.417528         0.340985
BFGS:   12 13:22:20      -40.447843         0.283701
BFGS:   13 13:22:20      -40.457748         0.121125
BFGS:   14 13:22:20      -40.458698         0.055977
BFGS:   15 13:22:20      -40.458767         0.051623
BFGS:   16 13:22:20      -40.459535         0.047697
BFGS:   17 13:22:20      -40.460294         0.048628
BFGS:   18 13:22:20      -40.460991         0.027815
BFGS:   19 13:22:20      -40.461174         0.009543
BFGS:   20 13:22:20      -40.461192         0.001497
BFGS:   21 13:22:21      -40.461192         0.000056
BFGS:   22 13:22:21      -40.461192         0.000006
BFGS:   23 13:22:21      -40.461192         0.000000
BFGS:   24 13:22:21      -40.461192         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.4330571522602176e-09 eV/Angstrom
Maximum stress component: 8.680655240480983e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [3.19684892e-01 3.33333344e-09 2.12392076e-32]
 [9.99999997e-01 3.19684899e-01 0.00000000e+00]
 [6.80315101e-01 6.80315108e-01 0.00000000e+00]
 [6.80315101e-01 3.33333344e-09 5.00000000e-01]
 [9.99999997e-01 6.80315108e-01 5.00000000e-01]
 [3.19684892e-01 3.19684899e-01 5.00000000e-01]]
cellpar =  Cell([[4.663411488359413, 2.3570575984618913e-17, -6.0715416120287996e-37], [-2.3317057441797067, 4.03863281721945, 1.0545246881509184e-36], [-3.1241080766814056e-36, 4.2140013725832037e-36, 4.310807859622426]])
forces =  [[ 2.56717367e-68 -3.46277181e-68 -3.54232061e-32]
 [-1.53282625e-31 -7.74746079e-49 -1.41692825e-31]
 [-1.43305715e-09 -7.24339063e-27  8.41301146e-32]
 [ 7.16528576e-10 -1.24106390e-09 -3.98511069e-32]
 [ 7.16528576e-10  1.24106390e-09  1.59404428e-31]
 [ 1.43305715e-09  7.24332426e-27  1.41692825e-31]
 [-7.16528576e-10  1.24106390e-09 -1.41692825e-31]
 [-7.16528576e-10 -1.24106390e-09 -1.37476081e-46]]
stress =  [ 2.91680808e-11  2.91680808e-11 -8.68065524e-11 -7.55189855e-33
 -5.17280127e-47 -9.13722064e-27]
energy per atom =  -5.057649056849854
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0