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:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 16:01:26      -87.476627        2.5022
BFGS:    1 16:01:26      -87.646897        2.2622
BFGS:    2 16:01:26      -87.856718        1.9361
BFGS:    3 16:01:26      -88.034493        1.6212
BFGS:    4 16:01:26      -88.181315        1.3170
BFGS:    5 16:01:26      -88.298246        1.0233
BFGS:    6 16:01:26      -88.386320        0.7398
BFGS:    7 16:01:26      -88.446540        0.4662
BFGS:    8 16:01:27      -88.479883        0.2022
BFGS:    9 16:01:27      -88.487837        0.0063
BFGS:   10 16:01:27      -88.487845        0.0004
BFGS:   11 16:01:27      -88.487845        0.0003
BFGS:   12 16:01:27      -88.487845        0.0001
BFGS:   13 16:01:27      -88.487845        0.0000
BFGS:   14 16:01:27      -88.487845        0.0000
BFGS:   15 16:01:27      -88.487845        0.0000
BFGS:   16 16:01:27      -88.487845        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.213770155805767e-10 eV/Angstrom
Maximum stress component: 1.7619785773846403e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.81627509e-31 5.65480537e-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 2.75776856e-31 2.20298478e-01]
 [1.00000000e+00 9.80614242e-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([[2.555160737306837, 2.895526801530944e-18, -6.108304922242724e-38], [-1.2775803686534184, 2.2128341092602977, 5.588477761545186e-33], [1.0002216768010224e-36, -2.6868496075784756e-30, 36.416899917850216]])
forces =  [[ 1.12177487e-47  3.87915182e-31 -2.21377016e-10]
 [ 2.79953668e-32  3.39425784e-31  2.21377016e-10]
 [-1.25979151e-31  1.45468193e-31 -2.21377016e-10]
 [ 2.33783714e-47  3.87915182e-31  2.21377016e-10]
 [-1.11981467e-31  1.93957591e-31 -2.21377016e-10]
 [-1.25979151e-31  1.93957591e-31  2.21377016e-10]
 [ 9.79837839e-32  7.75830364e-31 -2.21377016e-10]
 [ 4.75921236e-31 -1.63332609e-41  2.21377016e-10]
 [ 1.67972201e-31  4.84893977e-31 -2.21377016e-10]
 [ 4.47925869e-31 -1.63332609e-41  2.21377016e-10]
 [-1.11981467e-31  7.75830364e-31 -2.21377016e-10]
 [ 2.79953668e-31 -9.69787955e-32  2.21377016e-10]]
stress =  [-1.76197858e-11 -1.76197858e-11  1.76936343e-22  1.08769240e-33
  6.53847852e-49  3.96668769e-27]
energy per atom =  -7.373987068939557
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0