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_2005SiII_SiC__MO_408791041969_004
==== 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 16:43:55      -90.657444         2.164371
BFGS:    1 16:43:55      -90.705902         2.427042
BFGS:    2 16:43:56      -91.053399         1.302603
BFGS:    3 16:43:56      -91.145337         1.228645
BFGS:    4 16:43:56      -91.314349         1.080709
BFGS:    5 16:43:56      -91.463903         0.936524
BFGS:    6 16:43:56      -91.594062         0.796131
BFGS:    7 16:43:56      -91.704380         0.659604
BFGS:    8 16:43:57      -91.794801         0.526950
BFGS:    9 16:43:57      -91.865564         0.398131
BFGS:   10 16:43:57      -91.917056         0.273088
BFGS:   11 16:43:58      -91.949734         0.151754
BFGS:   12 16:43:58      -91.964073         0.034062
BFGS:   13 16:43:58      -91.964869         0.004364
BFGS:   14 16:43:58      -91.964870         0.002024
BFGS:   15 16:43:58      -91.964870         0.000300
BFGS:   16 16:43:58      -91.964870         0.000022
BFGS:   17 16:43:59      -91.964870         0.000003
BFGS:   18 16:43:59      -91.964870         0.000000
BFGS:   19 16:43:59      -91.964870         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0557789085734753e-09 eV/Angstrom
Maximum stress component: 7.648850825653354e-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([[5.0353325973574306, -1.8652387211098298e-34, 2.5233103634655284e-33], [3.239521378004635e-33, 5.0353325973574306, -2.2059931199321295e-20], [-1.6698183127364665e-33, -2.20599311993195e-20, 5.0353325973574306]])
forces =  [[-1.05577891e-09 -1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09  1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09 -1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09  1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09 -1.05577891e-09  1.05577891e-09]
 [ 1.05577891e-09  1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09  1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09 -1.05577891e-09 -1.05577891e-09]
 [-1.05577891e-09 -1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09  1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09 -1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09  1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09 -1.05577891e-09  1.05577891e-09]
 [ 1.05577891e-09  1.05577891e-09  1.05577891e-09]
 [-1.05577891e-09  1.05577891e-09 -1.05577891e-09]
 [ 1.05577891e-09 -1.05577891e-09 -1.05577891e-09]]
stress =  [-7.64885083e-11 -7.64885083e-11 -7.64885083e-11  3.16001452e-27
  0.00000000e+00  1.77305205e-59]
energy per atom =  -5.747804376242923
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0