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:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002
==== 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 13:23:29      -11.722292        2.7197
BFGS:    1 13:23:29      -11.930958        2.3927
BFGS:    2 13:23:29      -12.162138        1.8645
BFGS:    3 13:23:29      -12.340303        1.1941
BFGS:    4 13:23:29      -12.453760        1.0993
BFGS:    5 13:23:29      -12.498144        1.0768
BFGS:    6 13:23:29      -12.521543        1.0025
BFGS:    7 13:23:29      -12.568008        0.8575
BFGS:    8 13:23:29      -12.607760        0.7351
BFGS:    9 13:23:29      -12.641641        0.6322
BFGS:   10 13:23:29      -12.678452        1.3957
BFGS:   11 13:23:29      -13.042159       12.6059
BFGS:   12 13:23:29      -13.632718        0.9270
BFGS:   13 13:23:29      -13.662334        0.4010
BFGS:   14 13:23:29      -13.667221        0.2614
BFGS:   15 13:23:29      -13.667583        0.2610
BFGS:   16 13:23:29      -13.484965       14.1654
BFGS:   17 13:23:29      -13.667728        0.2610
BFGS:   18 13:23:29      -13.667857        0.2607
BFGS:   19 13:23:29      -13.297793       15.3115
BFGS:   20 13:23:29      -13.668025        0.2604
BFGS:   21 13:23:29      -13.668189        0.2600
BFGS:   22 13:23:29      -13.162691       14.3846
BFGS:   23 13:23:29      -13.668402        0.2594
BFGS:   24 13:23:29      -13.668611        0.2588
BFGS:   25 13:23:29      -13.100252       13.5918
BFGS:   26 13:23:29      -13.668850        0.2582
BFGS:   27 13:23:29      -13.669082        0.2575
BFGS:   28 13:23:29      -13.062458       13.0018
BFGS:   29 13:23:29      -13.669255        0.1875
BFGS:   30 13:23:29      -13.669148        0.2573
BFGS:   31 13:23:29      -13.669254        0.1975
BFGS:   32 13:23:29      -13.668346        1.4889
BFGS:   33 13:23:29      -13.669270        0.0073
BFGS:   34 13:23:29      -13.669270        0.0010
BFGS:   35 13:23:29      -13.669270        0.0021
BFGS:   36 13:23:29      -13.669270        0.0008
BFGS:   37 13:23:29      -13.669270        0.0001
BFGS:   38 13:23:29      -13.669270        0.0000
BFGS:   39 13:23:29      -13.669270        0.0000
BFGS:   40 13:23:29      -13.669270        0.0000
Minimization converged after 40 steps.
Maximum force component: 1.5420373187303054e-29 eV/Angstrom
Maximum stress component: 3.502335221945585e-10 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 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 6.85146181e-35]]
cellpar =  Cell([[3.665183498742752, 2.0790915210739947e-17, 2.8265618396373344e-35], [-1.832591749371376, 3.174142019442754, 1.8603775075015037e-36], [7.43906036165173e-36, 4.6730277686362374e-35, 2.912241700570029]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.34928265e-29  1.00158262e-29 -5.35900605e-65]
 [ 1.54203732e-29 -6.67721746e-30  8.52770210e-65]]
stress =  [-1.80272622e-10 -1.80272622e-10 -3.50233522e-10  1.79211834e-36
 -2.91041237e-36 -6.57415646e-28]
energy per atom =  -4.556423301863724
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0