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_Lee_2006_FeC__MO_856956178669_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 09:05:53      -38.527454        2.7763
BFGS:    1 09:05:53      -38.852077        2.6447
BFGS:    2 09:05:53      -39.227193        2.4610
BFGS:    3 09:05:53      -39.561519        2.2571
BFGS:    4 09:05:53      -39.850577        1.9720
BFGS:    5 09:05:53      -40.086627        1.7058
BFGS:    6 09:05:53      -40.279164        1.4802
BFGS:    7 09:05:53      -40.427473        1.2274
BFGS:    8 09:05:53      -40.530962        0.9515
BFGS:    9 09:05:53      -40.553633        2.0344
BFGS:   10 09:05:53      -40.570788        0.8345
BFGS:   11 09:05:53      -40.588864        0.7880
BFGS:   12 09:05:53      -40.556365        2.8253
BFGS:   13 09:05:53      -40.616402        1.6588
BFGS:   14 09:05:53      -40.632348        0.8103
BFGS:   15 09:05:53      -40.656869        0.7609
BFGS:   16 09:05:53      -40.681983        1.2097
BFGS:   17 09:05:53      -40.690610        0.0761
BFGS:   18 09:05:53      -40.691059        0.0727
BFGS:   19 09:05:53      -40.691766        0.0400
BFGS:   20 09:05:53      -40.692539        0.0216
BFGS:   21 09:05:53      -40.692701        0.0060
BFGS:   22 09:05:53      -40.692717        0.0009
BFGS:   23 09:05:53      -40.692717        0.0002
BFGS:   24 09:05:53      -40.692717        0.0000
BFGS:   25 09:05:53      -40.692717        0.0000
BFGS:   26 09:05:53      -40.692717        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.5984925021796366e-10 eV/Angstrom
Maximum stress component: 5.580912999347754e-10 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]
 [3.18746232e-01 3.33333344e-09 8.08343678e-33]
 [9.99999997e-01 3.18746239e-01 5.02458399e-33]
 [6.81253761e-01 6.81253768e-01 0.00000000e+00]
 [6.81253761e-01 3.33333344e-09 5.00000000e-01]
 [9.99999997e-01 6.81253768e-01 5.00000000e-01]
 [3.18746232e-01 3.18746239e-01 5.00000000e-01]]
cellpar =  Cell([[4.69373578497685, -1.16346023250556e-17, 2.288617627117374e-37], [-2.346867892488425, 4.0648944284420425, -4.1608703610193875e-37], [8.668237313243292e-36, -6.90755047438566e-36, 4.297748199265157]])
forces =  [[-2.15991105e-30  5.34439383e-31  2.71226043e-29]
 [ 6.17117443e-31 -1.52968049e-48 -1.58215192e-29]
 [-1.59849250e-10  3.94088733e-28  6.78065107e-30]
 [ 7.99246251e-11 -1.38433511e-10 -7.91075958e-30]
 [ 7.99246251e-11  1.38433511e-10 -6.78065107e-30]
 [ 1.59849250e-10 -3.97295369e-28 -1.58215192e-29]
 [-7.99246251e-11  1.38433511e-10 -6.78065107e-30]
 [-7.99246251e-11 -1.38433511e-10  6.78065107e-30]]
stress =  [ 7.30648905e-11  7.30648905e-11 -5.58091300e-10  1.73952964e-45
  4.56103056e-46 -2.35133240e-26]
energy per atom =  -5.086589626287859
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0