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_001
==== 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 09:37:37      -87.970365         0.387506
BFGS:    1 09:37:37      -87.974512         0.361291
BFGS:    2 09:37:37      -87.998622         0.119455
BFGS:    3 09:37:37      -88.001494         0.005125
BFGS:    4 09:37:37      -88.001500         0.003692
BFGS:    5 09:37:37      -88.001504         0.001615
BFGS:    6 09:37:37      -88.001505         0.000544
BFGS:    7 09:37:37      -88.001505         0.000088
BFGS:    8 09:37:37      -88.001505         0.000005
BFGS:    9 09:37:37      -88.001505         0.000000
BFGS:   10 09:37:38      -88.001505         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.981398545885314e-09 eV/Angstrom
Maximum stress component: 2.7466214131863817e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.77775649e-31 5.59403158e-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 2.75862453e-31 2.20298478e-01]
 [1.00000000e+00 9.87718784e-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, 2.231795888682313e-18, 2.587980689623495e-37], [-1.2256704438787414, 2.122923482133478, -1.0447579224412917e-33], [3.642681201183905e-36, -2.6868402205198315e-30, 36.41689959166207]])
forces =  [[-6.04302185e-31  3.72153631e-31 -1.98139855e-09]
 [ 1.18174649e-30 -1.11646089e-30  1.98139855e-09]
 [-1.61147249e-30  3.72153631e-31 -1.98139855e-09]
 [ 1.50404099e-30 -1.11646089e-30  1.98139855e-09]
 [-5.37157498e-31  1.86076816e-31 -1.98139855e-09]
 [ 1.50404099e-30 -1.11646089e-30  1.98139855e-09]
 [-6.44588997e-31  3.72153631e-31 -1.98139855e-09]
 [ 6.44588997e-31 -3.72153631e-31  1.98139855e-09]
 [-6.44588997e-31  3.72153631e-31 -1.98139855e-09]
 [ 6.44588997e-31 -3.72153631e-31  1.98139855e-09]
 [-6.44588997e-31  3.72153631e-31 -1.98139855e-09]
 [ 6.58017935e-31 -3.72153631e-31  1.98139855e-09]]
stress =  [-2.74662141e-10 -2.74662141e-10  1.28651866e-20 -2.02645835e-41
  2.73518534e-47  2.91173386e-26]
energy per atom =  -7.333458714361696
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0