element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:57:35      -90.657445         2.164371
BFGS:    1 15:57:35      -90.705903         2.427042
BFGS:    2 15:57:35      -91.053400         1.302603
BFGS:    3 15:57:35      -91.145338         1.228645
BFGS:    4 15:57:35      -91.314350         1.080709
BFGS:    5 15:57:35      -91.463904         0.936524
BFGS:    6 15:57:35      -91.594063         0.796131
BFGS:    7 15:57:35      -91.704381         0.659604
BFGS:    8 15:57:35      -91.794802         0.526950
BFGS:    9 15:57:35      -91.865565         0.398131
BFGS:   10 15:57:35      -91.917057         0.273088
BFGS:   11 15:57:35      -91.949735         0.151754
BFGS:   12 15:57:35      -91.964074         0.034062
BFGS:   13 15:57:35      -91.964870         0.004364
BFGS:   14 15:57:35      -91.964871         0.002024
BFGS:   15 15:57:35      -91.964871         0.000300
BFGS:   16 15:57:35      -91.964871         0.000022
BFGS:   17 15:57:35      -91.964871         0.000003
BFGS:   18 15:57:35      -91.964871         0.000000
BFGS:   19 15:57:35      -91.964871         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0557761093520143e-09 eV/Angstrom
Maximum stress component: 7.648763195320418e-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 =  [[0.16442925 0.16442925 0.16442925]
 [0.83557075 0.83557075 0.16442925]
 [0.83557075 0.16442925 0.83557075]
 [0.16442925 0.83557075 0.83557075]
 [0.16442925 0.16442925 0.83557075]
 [0.83557075 0.83557075 0.83557075]
 [0.16442925 0.83557075 0.16442925]
 [0.83557075 0.16442925 0.16442925]
 [0.66442925 0.66442925 0.66442925]
 [0.33557075 0.33557075 0.66442925]
 [0.33557075 0.66442925 0.33557075]
 [0.66442925 0.33557075 0.33557075]
 [0.66442925 0.66442925 0.33557075]
 [0.33557075 0.33557075 0.33557075]
 [0.66442925 0.33557075 0.66442925]
 [0.33557075 0.66442925 0.66442925]]
cellpar =  Cell([[5.035332591520124, -2.685453325349591e-32, 2.976112172229893e-33], [-2.487836799244081e-32, 5.035332591520124, 8.643891054086137e-19], [-8.876446581313254e-33, 8.643891054086285e-19, 5.035332591520124]])
forces =  [[-1.05577611e-09 -1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09  1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09 -1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09  1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09 -1.05577611e-09  1.05577611e-09]
 [ 1.05577611e-09  1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09  1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09 -1.05577611e-09 -1.05577611e-09]
 [-1.05577611e-09 -1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09  1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09 -1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09  1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09 -1.05577611e-09  1.05577611e-09]
 [ 1.05577611e-09  1.05577611e-09  1.05577611e-09]
 [-1.05577611e-09  1.05577611e-09 -1.05577611e-09]
 [ 1.05577611e-09 -1.05577611e-09 -1.05577611e-09]]
stress =  [-7.64876320e-11 -7.64876320e-11 -7.64876320e-11  2.95095288e-27
  3.24095408e-34 -2.46288418e-50]
energy per atom =  -5.747804441616033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0