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 15:10:53     -144.497556         0.653682
BFGS:    1 15:10:53     -144.548385         0.446859
BFGS:    2 15:10:53     -144.583873         0.202659
BFGS:    3 15:10:53     -144.595649         0.061868
BFGS:    4 15:10:53     -144.595950         0.013416
BFGS:    5 15:10:54     -144.595964         0.012862
BFGS:    6 15:10:54     -144.595977         0.011820
BFGS:    7 15:10:54     -144.596011         0.012874
BFGS:    8 15:10:54     -144.596044         0.013324
BFGS:    9 15:10:54     -144.596063         0.006549
BFGS:   10 15:10:54     -144.596067         0.001253
BFGS:   11 15:10:54     -144.596067         0.000068
BFGS:   12 15:10:54     -144.596067         0.000006
BFGS:   13 15:10:54     -144.596067         0.000000
BFGS:   14 15:10:54     -144.596067         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.943317371441791e-09 eV/Angstrom
Maximum stress component: 1.6254819637088405e-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([[5.213044701200833, 3.685229426342339e-32, -5.349937186423121e-34], [3.940909562053205e-32, 5.213044701200833, -8.371788673791133e-20], [-4.607407122016804e-32, -8.371788673788882e-20, 5.213044701200833]])
forces =  [[-1.07571933e-09 -1.07571933e-09 -1.07571933e-09]
 [ 1.07571933e-09  1.07571933e-09 -1.07571933e-09]
 [ 1.07571933e-09 -1.07571933e-09  1.07571933e-09]
 [-1.07571933e-09  1.07571933e-09  1.07571933e-09]
 [-1.07571933e-09 -1.07571933e-09  1.07571933e-09]
 [ 1.07571933e-09  1.07571933e-09  1.07571933e-09]
 [-1.07571933e-09  1.07571933e-09 -1.07571933e-09]
 [ 1.07571933e-09 -1.07571933e-09 -1.07571933e-09]
 [-5.04160535e-42  3.94331737e-09  3.94331737e-09]
 [-8.56743159e-32 -3.94331737e-09  3.94331737e-09]
 [ 6.46622609e-41  3.94331737e-09 -3.94331737e-09]
 [ 5.04160535e-42 -3.94331737e-09 -3.94331737e-09]
 [ 3.94331737e-09 -6.31555968e-29  3.94331737e-09]
 [ 3.94331737e-09  6.33269454e-29 -3.94331737e-09]
 [-3.94331737e-09 -6.33269454e-29  3.94331737e-09]
 [-3.94331737e-09  6.33269454e-29 -3.94331737e-09]
 [ 3.94331737e-09  3.94331737e-09 -6.31555968e-29]
 [-3.94331737e-09  3.94331737e-09 -6.34126197e-29]
 [ 3.94331737e-09 -3.94331737e-09  6.33697825e-29]
 [-3.94331737e-09 -3.94331737e-09  6.34126197e-29]]
stress =  [1.62548196e-10 1.62548196e-10 1.62548196e-10 7.77534392e-26
 1.20950117e-33 4.47771371e-49]
energy per atom =  -7.229803344367357
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0