element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:50     -117.554669         3.320143
BFGS:    1 16:49:51     -117.509769         2.510560
BFGS:    2 16:49:51     -117.708724         1.000450
BFGS:    3 16:49:51     -117.725865         0.637951
BFGS:    4 16:49:51     -117.734614         0.278197
BFGS:    5 16:49:51     -117.736383         0.263158
BFGS:    6 16:49:51     -117.747732         0.107828
BFGS:    7 16:49:51     -117.749752         0.092318
BFGS:    8 16:49:51     -117.751703         0.045029
BFGS:    9 16:49:51     -117.752217         0.020691
BFGS:   10 16:49:51     -117.752285         0.004203
BFGS:   11 16:49:51     -117.752288         0.002041
BFGS:   12 16:49:51     -117.752288         0.002001
BFGS:   13 16:49:51     -117.752288         0.001768
BFGS:   14 16:49:51     -117.752289         0.001450
BFGS:   15 16:49:51     -117.752289         0.001519
BFGS:   16 16:49:51     -117.752290         0.000774
BFGS:   17 16:49:51     -117.752290         0.000151
BFGS:   18 16:49:51     -117.752290         0.000013
BFGS:   19 16:49:51     -117.752290         0.000001
BFGS:   20 16:49:51     -117.752290         0.000000
BFGS:   21 16:49:51     -117.752290         0.000000
BFGS:   22 16:49:51     -117.752290         0.000000
BFGS:   23 16:49:51     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.174501939096075e-09 eV/Angstrom
Maximum stress component: 5.4237072508810034e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 4.63908551e-02]
 [3.34282507e-35 0.00000000e+00 5.46390855e-01]
 [7.19461240e-35 0.00000000e+00 9.53609145e-01]
 [0.00000000e+00 5.44208594e-35 4.53609145e-01]
 [3.33333333e-01 6.66666667e-01 7.82933806e-02]
 [6.66666667e-01 3.33333333e-01 5.78293381e-01]
 [6.66666667e-01 3.33333333e-01 9.21706619e-01]
 [3.33333333e-01 6.66666667e-01 4.21706619e-01]
 [3.33333333e-01 6.66666667e-01 1.70105235e-01]
 [6.66666667e-01 3.33333333e-01 6.70105235e-01]
 [6.66666667e-01 3.33333333e-01 8.29894765e-01]
 [3.33333333e-01 6.66666667e-01 3.29894765e-01]
 [3.33333333e-01 6.66666667e-01 7.96212281e-01]
 [6.66666667e-01 3.33333333e-01 2.96212281e-01]
 [6.66666667e-01 3.33333333e-01 2.03787719e-01]
 [3.33333333e-01 6.66666667e-01 7.03787719e-01]]
cellpar =  Cell([[2.514649841723857, 9.00027615067012e-19, 9.644631345098453e-35], [-1.2573249208619286, 2.177750644555378, 1.929843494477892e-34], [6.344405013462183e-34, 1.8337937586031467e-33, 16.454609953556123]])
forces =  [[ 2.06636349e-31 -7.15809310e-32  2.74854356e-09]
 [-3.61613611e-32 -8.94761638e-32  2.74854356e-09]
 [-3.09954524e-31  2.50533259e-31 -2.74854356e-09]
 [-1.23981809e-31 -2.14742793e-31 -2.74854356e-09]
 [ 2.47963619e-31  1.43161862e-31 -3.17450194e-09]
 [ 2.68627254e-31  1.07371397e-31 -3.17450194e-09]
 [-8.26545396e-32 -1.43161862e-31  3.17450194e-09]
 [-1.03318175e-31 -6.80018845e-31  3.17450194e-09]
 [-2.06636349e-31  7.15809310e-32  5.74664261e-10]
 [ 8.26545396e-32  6.40438287e-44  5.74664261e-10]
 [ 1.23981809e-31 -7.15809310e-32 -5.74664261e-10]
 [-1.34313627e-31  8.94761638e-32 -5.74664261e-10]
 [ 3.09954524e-31 -2.50533259e-31 -2.43195408e-10]
 [ 8.26545396e-32 -1.43161862e-31 -2.43195408e-10]
 [ 1.54977262e-31 -5.36856983e-32  2.43195408e-10]
 [ 1.85972714e-31  3.57904655e-32  2.43195408e-10]]
stress =  [ 1.42209706e-11  1.42209706e-11  5.42370725e-11 -3.21041736e-33
 -5.56060596e-33  6.47105639e-28]
energy per atom =  -7.359518115207488
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0