element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:23      -87.970365         0.387506
BFGS:    1 16:09:23      -87.974512         0.361291
BFGS:    2 16:09:23      -87.998622         0.119455
BFGS:    3 16:09:23      -88.001494         0.005125
BFGS:    4 16:09:23      -88.001500         0.003692
BFGS:    5 16:09:23      -88.001504         0.001615
BFGS:    6 16:09:24      -88.001505         0.000544
BFGS:    7 16:09:24      -88.001505         0.000088
BFGS:    8 16:09:24      -88.001505         0.000005
BFGS:    9 16:09:24      -88.001505         0.000000
BFGS:   10 16:09:24      -88.001505         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.9814042665186065e-09 eV/Angstrom
Maximum stress component: 2.7466159236048743e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.83938625e-31 5.58375995e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.73465740e-31 2.20298478e-01]
 [1.00000000e+00 9.85664459e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.4513408877574827, 4.374979582927866e-19, 2.591476237685597e-37], [-1.2256704438787414, 2.1229234821334786, -1.0447579665712287e-33], [3.685162634839127e-36, -2.6868402249863737e-30, 36.41689959166207]])
forces =  [[ 1.23546224e-30 -9.30384078e-31 -1.98140427e-09]
 [-3.15580030e-31  3.72153631e-31  1.98140427e-09]
 [ 6.44588997e-31 -5.58230446e-31 -1.98140427e-09]
 [ 6.44588997e-31 -3.72153631e-31  1.98140427e-09]
 [ 1.07431500e-30 -1.11646089e-30 -1.98140427e-09]
 [ 7.52020497e-31 -1.30253771e-30  1.98140427e-09]
 [ 1.50404099e-30 -3.72153631e-31 -1.98140427e-09]
 [-1.93376699e-30  9.30384078e-31  1.98140427e-09]
 [ 1.81962102e-30 -3.72153631e-31 -1.98140427e-09]
 [-9.66883496e-31 -5.58230447e-31  1.98140427e-09]
 [ 8.59451996e-31  1.46188082e-40 -1.98140427e-09]
 [-1.88005124e-30  1.30253771e-30  1.98140427e-09]]
stress =  [-2.74661592e-10 -2.74661592e-10  1.28658849e-20 -2.02645430e-41
  2.76721921e-47 -1.53667511e-26]
energy per atom =  -7.333458714361698
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0