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 14:19:54     -142.554438        1.0097
BFGS:    1 14:19:54     -142.623804        0.5855
BFGS:    2 14:19:54     -142.650228        0.2903
BFGS:    3 14:19:54     -142.658179        0.2781
BFGS:    4 14:19:54     -142.664590        0.2577
BFGS:    5 14:19:54     -142.682596        0.3128
BFGS:    6 14:19:54     -142.700004        0.3090
BFGS:    7 14:19:54     -142.710056        0.1480
BFGS:    8 14:19:54     -142.711851        0.0289
BFGS:    9 14:19:54     -142.711967        0.0017
BFGS:   10 14:19:54     -142.711969        0.0002
BFGS:   11 14:19:54     -142.711969        0.0000
BFGS:   12 14:19:54     -142.711969        0.0000
BFGS:   13 14:19:54     -142.711969        0.0000
BFGS:   14 14:19:54     -142.711969        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.3213993232952252e-09 eV/Angstrom
Maximum stress component: 7.788736016525033e-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([[5.252997597299476, 9.807938397766442e-33, 2.5031325691856974e-32], [8.8759834847217e-32, 5.252997597299476, -3.1938596631466543e-18], [-2.712845428836469e-33, -3.1938596631466405e-18, 5.252997597299476]])
forces =  [[-4.65398291e-10 -4.65398291e-10 -4.65398291e-10]
 [ 4.65398291e-10  4.65398291e-10 -4.65398291e-10]
 [ 4.65398291e-10 -4.65398291e-10  4.65398291e-10]
 [-4.65398291e-10  4.65398291e-10  4.65398291e-10]
 [-4.65398291e-10 -4.65398291e-10  4.65398291e-10]
 [ 4.65398291e-10  4.65398291e-10  4.65398291e-10]
 [-4.65398291e-10  4.65398291e-10 -4.65398291e-10]
 [ 4.65398291e-10 -4.65398291e-10 -4.65398291e-10]
 [ 8.63309258e-32  1.32139932e-09  1.32139932e-09]
 [-2.30100882e-41 -1.32139932e-09  1.32139932e-09]
 [ 1.72661852e-31  1.32139932e-09 -1.32139932e-09]
 [-8.63309258e-32 -1.32139932e-09 -1.32139932e-09]
 [ 1.32139932e-09 -8.03074803e-28  1.32139932e-09]
 [ 1.32139932e-09  8.03333796e-28 -1.32139932e-09]
 [-1.32139932e-09 -8.02988473e-28  1.32139932e-09]
 [-1.32139932e-09  8.03420127e-28 -1.32139932e-09]
 [ 1.32139932e-09  1.32139932e-09 -8.03290631e-28]
 [-1.32139932e-09  1.32139932e-09 -8.03420127e-28]
 [ 1.32139932e-09 -1.32139932e-09  8.03592789e-28]
 [-1.32139932e-09 -1.32139932e-09  8.03463293e-28]]
stress =  [7.78873602e-12 7.78873602e-12 7.78873602e-12 7.82064197e-28
 2.38234571e-33 2.07832410e-49]
energy per atom =  -7.135598443432616
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0