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_AlbeNordlundAverback_2002_PtC__MO_500121566391_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 17:35:08     -144.497556         0.653682
BFGS:    1 17:35:08     -144.548385         0.446859
BFGS:    2 17:35:08     -144.583873         0.202659
BFGS:    3 17:35:08     -144.595649         0.061868
BFGS:    4 17:35:08     -144.595950         0.013416
BFGS:    5 17:35:08     -144.595964         0.012862
BFGS:    6 17:35:08     -144.595977         0.011820
BFGS:    7 17:35:08     -144.596011         0.012874
BFGS:    8 17:35:08     -144.596044         0.013324
BFGS:    9 17:35:08     -144.596063         0.006549
BFGS:   10 17:35:08     -144.596067         0.001253
BFGS:   11 17:35:09     -144.596067         0.000068
BFGS:   12 17:35:09     -144.596067         0.000006
BFGS:   13 17:35:09     -144.596067         0.000000
BFGS:   14 17:35:09     -144.596067         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.943294183869419e-09 eV/Angstrom
Maximum stress component: 1.6254561442363604e-10 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 =  [[0.26616216 0.26616216 0.26616216]
 [0.73383784 0.73383784 0.26616216]
 [0.73383784 0.26616216 0.73383784]
 [0.26616216 0.73383784 0.73383784]
 [0.26616216 0.26616216 0.73383784]
 [0.73383784 0.73383784 0.73383784]
 [0.26616216 0.73383784 0.26616216]
 [0.73383784 0.26616216 0.26616216]
 [0.5        0.15105556 0.15105556]
 [0.5        0.84894444 0.15105556]
 [0.5        0.15105556 0.84894444]
 [0.5        0.84894444 0.84894444]
 [0.15105556 0.5        0.15105556]
 [0.15105556 0.5        0.84894444]
 [0.84894444 0.5        0.15105556]
 [0.84894444 0.5        0.84894444]
 [0.15105556 0.15105556 0.5       ]
 [0.84894444 0.15105556 0.5       ]
 [0.15105556 0.84894444 0.5       ]
 [0.84894444 0.84894444 0.5       ]]
cellpar =  Cell([[5.213044701200832, -1.899948673114668e-32, 6.793861105720645e-34], [-1.1225037102203852e-32, 5.213044701200832, 9.816165184768738e-20], [-1.9156754514566862e-33, 9.816165184767021e-20, 5.213044701200832]])
forces =  [[-1.07571761e-09 -1.07571761e-09 -1.07571761e-09]
 [ 1.07571761e-09  1.07571761e-09 -1.07571761e-09]
 [ 1.07571761e-09 -1.07571761e-09  1.07571761e-09]
 [-1.07571761e-09  1.07571761e-09  1.07571761e-09]
 [-1.07571761e-09 -1.07571761e-09  1.07571761e-09]
 [ 1.07571761e-09  1.07571761e-09  1.07571761e-09]
 [-1.07571761e-09  1.07571761e-09 -1.07571761e-09]
 [ 1.07571761e-09 -1.07571761e-09 -1.07571761e-09]
 [ 1.71348632e-31  3.94329418e-09  3.94329418e-09]
 [-4.06953000e-31 -3.94329418e-09  3.94329418e-09]
 [-3.42697264e-31  3.94329418e-09 -3.94329418e-09]
 [-6.42557369e-32 -3.94329418e-09 -3.94329418e-09]
 [ 3.94329418e-09  7.46591977e-29  3.94329418e-09]
 [ 3.94329418e-09 -7.51089879e-29 -3.94329418e-09]
 [-3.94329418e-09  7.38452917e-29  3.94329418e-09]
 [-3.94329418e-09 -7.44235933e-29 -3.94329418e-09]
 [ 3.94329418e-09  3.94329418e-09  7.47662906e-29]
 [-3.94329418e-09  3.94329418e-09  7.35668502e-29]
 [ 3.94329418e-09 -3.94329418e-09 -7.43379190e-29]
 [-3.94329418e-09 -3.94329418e-09 -7.44878491e-29]]
stress =  [ 1.62545614e-10  1.62545614e-10  1.62545614e-10  2.33234111e-27
  4.83800469e-33 -3.18045462e-50]
energy per atom =  -7.229803344367359
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0