element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:44     -142.554438         1.009699
BFGS:    1 16:37:44     -142.623804         0.585539
BFGS:    2 16:37:44     -142.650228         0.290284
BFGS:    3 16:37:44     -142.658179         0.278089
BFGS:    4 16:37:44     -142.664590         0.257652
BFGS:    5 16:37:44     -142.682596         0.312807
BFGS:    6 16:37:44     -142.700004         0.308959
BFGS:    7 16:37:44     -142.710056         0.148041
BFGS:    8 16:37:44     -142.711851         0.028866
BFGS:    9 16:37:44     -142.711967         0.001701
BFGS:   10 16:37:44     -142.711969         0.000210
BFGS:   11 16:37:44     -142.711969         0.000014
BFGS:   12 16:37:44     -142.711969         0.000000
BFGS:   13 16:37:44     -142.711969         0.000000
BFGS:   14 16:37:44     -142.711969         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.3213471533128523e-09 eV/Angstrom
Maximum stress component: 7.788407177591053e-12 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', 'C', 'C', 'C', 'C']
basis =  [[0.26372908 0.26372908 0.26372908]
 [0.73627092 0.73627092 0.26372908]
 [0.73627092 0.26372908 0.73627092]
 [0.26372908 0.73627092 0.73627092]
 [0.26372908 0.26372908 0.73627092]
 [0.73627092 0.73627092 0.73627092]
 [0.26372908 0.73627092 0.26372908]
 [0.73627092 0.26372908 0.26372908]
 [0.5        0.15350444 0.15350444]
 [0.5        0.84649556 0.15350444]
 [0.5        0.15350444 0.84649556]
 [0.5        0.84649556 0.84649556]
 [0.15350444 0.5        0.15350444]
 [0.15350444 0.5        0.84649556]
 [0.84649556 0.5        0.15350444]
 [0.84649556 0.5        0.84649556]
 [0.15350444 0.15350444 0.5       ]
 [0.84649556 0.15350444 0.5       ]
 [0.15350444 0.84649556 0.5       ]
 [0.84649556 0.84649556 0.5       ]]
cellpar =  Cell([[5.252997597299477, 2.4295385142664295e-32, 6.500485813283596e-33], [-4.9105254036177756e-32, 5.252997597299477, 1.6135640826418655e-18], [-1.2864070871401873e-33, 1.6135640826418543e-18, 5.252997597299477]])
forces =  [[-4.65388152e-10 -4.65388152e-10 -4.65388152e-10]
 [ 4.65388152e-10  4.65388152e-10 -4.65388152e-10]
 [ 4.65388152e-10 -4.65388152e-10  4.65388152e-10]
 [-4.65388152e-10  4.65388152e-10  4.65388152e-10]
 [-4.65388152e-10 -4.65388152e-10  4.65388152e-10]
 [ 4.65388152e-10  4.65388152e-10  4.65388152e-10]
 [-4.65388152e-10  4.65388152e-10 -4.65388152e-10]
 [ 4.65388152e-10 -4.65388152e-10 -4.65388152e-10]
 [-2.58992777e-31  1.32134715e-09  1.32134715e-09]
 [ 1.20284268e-41 -1.32134715e-09  1.32134715e-09]
 [-1.20284268e-41  1.32134715e-09 -1.32134715e-09]
 [-1.72661852e-31 -1.32134715e-09 -1.32134715e-09]
 [ 1.32134715e-09  4.06137402e-28  1.32134715e-09]
 [ 1.32134715e-09 -4.05878409e-28 -1.32134715e-09]
 [-1.32134715e-09  4.05921574e-28  1.32134715e-09]
 [-1.32134715e-09 -4.05986323e-28 -1.32134715e-09]
 [ 1.32134715e-09  1.32134715e-09  4.05878409e-28]
 [-1.32134715e-09  1.32134715e-09  4.05953949e-28]
 [ 1.32134715e-09 -1.32134715e-09 -4.05878409e-28]
 [-1.32134715e-09 -1.32134715e-09 -4.06051071e-28]]
stress =  [ 7.78840718e-12  7.78840718e-12  7.78840718e-12  5.13882407e-28
 -6.55145070e-33 -5.74901790e-49]
energy per atom =  -7.135598443432611
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0