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 20:54:26      -11.722292         2.719654
BFGS:    1 20:54:26      -11.930958         2.392722
BFGS:    2 20:54:26      -12.162138         1.864467
BFGS:    3 20:54:26      -12.340303         1.194060
BFGS:    4 20:54:26      -12.453760         1.099331
BFGS:    5 20:54:26      -12.498144         1.076790
BFGS:    6 20:54:26      -12.521543         1.002529
BFGS:    7 20:54:26      -12.568008         0.857477
BFGS:    8 20:54:26      -12.607760         0.735070
BFGS:    9 20:54:26      -12.641641         0.632207
BFGS:   10 20:54:26      -12.678452         1.395717
BFGS:   11 20:54:26      -13.042159        12.605876
BFGS:   12 20:54:26      -13.632718         0.926953
BFGS:   13 20:54:26      -13.662334         0.401002
BFGS:   14 20:54:26      -13.667221         0.261391
BFGS:   15 20:54:26      -13.667583         0.261012
BFGS:   16 20:54:26      -13.484965        14.165410
BFGS:   17 20:54:26      -13.667728         0.260962
BFGS:   18 20:54:26      -13.667857         0.260743
BFGS:   19 20:54:26      -13.297793        15.311515
BFGS:   20 20:54:26      -13.668025         0.260372
BFGS:   21 20:54:26      -13.668189         0.259977
BFGS:   22 20:54:26      -13.162691        14.384579
BFGS:   23 20:54:26      -13.668402         0.259402
BFGS:   24 20:54:26      -13.668611         0.258835
BFGS:   25 20:54:26      -13.100252        13.591818
BFGS:   26 20:54:26      -13.668850         0.258154
BFGS:   27 20:54:26      -13.669082         0.257492
BFGS:   28 20:54:26      -13.062458        13.001850
BFGS:   29 20:54:26      -13.669255         0.187473
BFGS:   30 20:54:26      -13.669148         0.257257
BFGS:   31 20:54:26      -13.669254         0.197518
BFGS:   32 20:54:26      -13.668346         1.488865
BFGS:   33 20:54:26      -13.669270         0.007262
BFGS:   34 20:54:26      -13.669270         0.000980
BFGS:   35 20:54:26      -13.669270         0.002083
BFGS:   36 20:54:26      -13.669270         0.000845
BFGS:   37 20:54:26      -13.669270         0.000117
BFGS:   38 20:54:26      -13.669270         0.000003
BFGS:   39 20:54:26      -13.669270         0.000000
BFGS:   40 20:54:26      -13.669270         0.000000
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