element(s):
['C', 'Fe']
AFLOW prototype label:
AB2_hP3_191_a_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9831', '0.6320956']
model name:
EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.        ]]
spacegroup =  191
cell =  [[3.9831, 0, 0], [-1.99155, 3.4494657858138, 0], [0, 0, 2.5177]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:23:24       -9.032378        2.6442
BFGS:    1 13:23:24       -9.303633        2.9359
BFGS:    2 13:23:24       -9.637411        2.6185
BFGS:    3 13:23:24       -9.875201        1.4431
BFGS:    4 13:23:24       -9.941277        0.3998
BFGS:    5 13:23:24       -9.946665        0.4360
BFGS:    6 13:23:24       -9.955440        0.8079
BFGS:    7 13:23:24       -9.982004        2.7322
BFGS:    8 13:23:24      -10.045587        4.4854
BFGS:    9 13:23:24      -10.198805        5.2370
BFGS:   10 13:23:24      -10.391062        3.7536
BFGS:   11 13:23:24      -10.442304        0.9128
BFGS:   12 13:23:24      -10.454038        1.2593
BFGS:   13 13:23:24      -10.457796        0.6055
BFGS:   14 13:23:24      -10.458377        0.4663
BFGS:   15 13:23:24      -10.459339        0.5348
BFGS:   16 13:23:24      -10.460829        0.6238
BFGS:   17 13:23:24      -10.468512        1.0044
BFGS:   18 13:23:24      -10.504461        2.4031
BFGS:   19 13:23:24      -10.542416        3.8424
BFGS:   20 13:23:24      -10.576721        4.9028
BFGS:   21 13:23:24      -10.600684        5.8610
BFGS:   22 13:23:24      -10.640353        5.2861
BFGS:   23 13:23:24      -10.970601        0.9610
BFGS:   24 13:23:24      -10.980913        0.2162
BFGS:   25 13:23:24      -10.981503        0.0099
BFGS:   26 13:23:24      -10.981505        0.0006
BFGS:   27 13:23:24      -10.981505        0.0000
BFGS:   28 13:23:24      -10.981505        0.0000
BFGS:   29 13:23:24      -10.981505        0.0000
Minimization converged after 29 steps.
Maximum force component: 1.9096777033659776e-30 eV/Angstrom
Maximum stress component: 3.897358409971183e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33333333e-01 6.66666667e-01 8.77702449e-37]
 [6.66666667e-01 3.33333333e-01 1.53770380e-34]]
cellpar =  Cell([[4.14994986328174, 1.8350043667623157e-17, 1.586818453219434e-36], [-2.07497493164087, 3.5939620060337463, 2.053586092370233e-36], [-1.9780759658119271e-35, 9.402464207281245e-36, 2.102221301107195]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.90967770e-30 -9.45045374e-31 -5.39830794e-34]
 [-1.77327215e-30  1.18130672e-30  5.39830794e-34]]
stress =  [ 3.89735841e-11  3.89735841e-11  2.95044133e-11 -4.75833861e-34
 -1.17738346e-34 -3.35956688e-27]
energy per atom =  -3.66050164888818
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0