element(s):
['C']
AFLOW prototype label:
A_hR14_166_7c
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5219588', '17.242372', '0.017784926', '0.172604', '0.20814845', '0.26813059', '0.30367798', '0.41047725', '0.44657679']
model name:
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.51778493]
 [0.         0.         0.672604  ]
 [0.         0.         0.70814845]
 [0.         0.         0.76813059]
 [0.         0.         0.80367798]
 [0.         0.         0.91047725]
 [0.         0.         0.94657679]]
spacegroup =  166
cell =  [[2.522, 0, 0], [-1.261, 2.1841160683444, 0], [0, 0, 43.4846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:20     -313.749014         0.495908
BFGS:    1 15:56:20     -313.774908         0.322375
BFGS:    2 15:56:21     -313.787720         0.331335
BFGS:    3 15:56:21     -313.793480         0.316555
BFGS:    4 15:56:22     -313.799035         0.309217
BFGS:    5 15:56:22     -313.807192         0.281389
BFGS:    6 15:56:23     -313.820482         0.232533
BFGS:    7 15:56:24     -313.833309         0.259111
BFGS:    8 15:56:25     -313.845469         0.215720
BFGS:    9 15:56:26     -313.855296         0.170380
BFGS:   10 15:56:27     -313.860281         0.076048
BFGS:   11 15:56:28     -313.861290         0.059266
BFGS:   12 15:56:29     -313.862773         0.057287
BFGS:   13 15:56:30     -313.864213         0.046145
BFGS:   14 15:56:31     -313.864694         0.025894
BFGS:   15 15:56:31     -313.864824         0.019426
BFGS:   16 15:56:32     -313.864850         0.020240
BFGS:   17 15:56:32     -313.864899         0.020641
BFGS:   18 15:56:33     -313.865002         0.019764
BFGS:   19 15:56:33     -313.865187         0.021457
BFGS:   20 15:56:34     -313.865392         0.018971
BFGS:   21 15:56:34     -313.865497         0.008297
BFGS:   22 15:56:35     -313.865516         0.001319
BFGS:   23 15:56:35     -313.865517         0.000095
BFGS:   24 15:56:36     -313.865517         0.000010
BFGS:   25 15:56:36     -313.865517         0.000000
BFGS:   26 15:56:38     -313.865517         0.000000
BFGS:   27 15:56:38     -313.865517         0.000000
BFGS:   28 15:56:38     -313.865517         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.814888483669871e-09 eV/Angstrom
Maximum stress component: 5.281092676937091e-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', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.39592826e-31 6.79185652e-31 5.17857143e-01]
 [0.00000000e+00 1.01663372e-16 4.82142857e-01]
 [6.66666667e-01 3.33333333e-01 8.51190476e-01]
 [6.66666667e-01 3.33333333e-01 8.15476190e-01]
 [3.33333333e-01 6.66666667e-01 1.84523810e-01]
 [3.33333333e-01 6.66666667e-01 1.48809524e-01]
 [5.27479080e-31 9.96138956e-31 6.72619048e-01]
 [0.00000000e+00 3.62232348e-31 3.27380952e-01]
 [6.66666667e-01 3.33333333e-01 5.95238095e-03]
 [6.66666667e-01 3.33333333e-01 6.60714286e-01]
 [3.33333333e-01 6.66666667e-01 3.39285714e-01]
 [3.33333333e-01 6.66666667e-01 9.94047619e-01]
 [6.40676688e-31 1.22253417e-30 7.08333333e-01]
 [0.00000000e+00 3.62232348e-31 2.91666667e-01]
 [6.66666667e-01 3.33333333e-01 4.16666667e-02]
 [6.66666667e-01 3.33333333e-01 6.25000000e-01]
 [3.33333333e-01 6.66666667e-01 3.75000000e-01]
 [3.33333333e-01 6.66666667e-01 9.58333333e-01]
 [5.56184843e-31 1.13197609e-30 7.67857143e-01]
 [0.00000000e+00 3.39592826e-31 2.32142857e-01]
 [6.66666667e-01 3.33333333e-01 1.01190476e-01]
 [6.66666667e-01 3.33333333e-01 5.65476190e-01]
 [3.33333333e-01 6.66666667e-01 4.34523810e-01]
 [3.33333333e-01 6.66666667e-01 8.98809524e-01]
 [5.56184843e-31 1.13197609e-30 8.03571429e-01]
 [0.00000000e+00 2.82994022e-31 1.96428571e-01]
 [6.66666667e-01 3.33333333e-01 1.36904762e-01]
 [6.66666667e-01 3.33333333e-01 5.29761905e-01]
 [3.33333333e-01 6.66666667e-01 4.70238095e-01]
 [3.33333333e-01 6.66666667e-01 8.63095238e-01]
 [5.98430766e-31 1.17725513e-30 9.10714286e-01]
 [0.00000000e+00 1.47156891e-31 8.92857143e-02]
 [6.66666667e-01 3.33333333e-01 2.44047619e-01]
 [6.66666667e-01 3.33333333e-01 4.22619048e-01]
 [3.33333333e-01 6.66666667e-01 5.77380952e-01]
 [3.33333333e-01 6.66666667e-01 7.55952381e-01]
 [5.91660686e-31 1.22253417e-30 9.46428571e-01]
 [0.00000000e+00 6.22586848e-32 5.35714286e-02]
 [6.66666667e-01 3.33333333e-01 2.79761905e-01]
 [6.66666667e-01 3.33333333e-01 3.86904762e-01]
 [3.33333333e-01 6.66666667e-01 6.13095238e-01]
 [3.33333333e-01 6.66666667e-01 7.20238095e-01]]
cellpar =  Cell([[2.5146790938081347, 2.695854554326801e-18, 1.2297396612354383e-17], [-1.2573395469040674, 2.177775977603476, 3.1281946967566e-17], [2.1146526530151186e-16, 7.43134779986237e-16, 43.11776452679411]])
forces =  [[-1.87093860e-26 -6.57492308e-26 -3.81488848e-09]
 [ 1.87092896e-26  6.57499944e-26  3.81488848e-09]
 [-1.87092758e-26 -6.57494217e-26 -3.81488848e-09]
 [ 1.87094411e-26  6.57500898e-26  3.81488848e-09]
 [-1.87092758e-26 -6.57492308e-26 -3.81488848e-09]
 [ 1.87093309e-26  6.57497080e-26  3.81488848e-09]
 [ 2.33085742e-29  8.08477088e-29  4.69643977e-12]
 [-2.33085742e-29 -8.08477088e-29 -4.69643977e-12]
 [ 2.32534706e-29  8.09431512e-29  4.69643977e-12]
 [-2.33085742e-29 -8.08477088e-29 -4.69643977e-12]
 [ 2.32810224e-29  8.08954300e-29  4.69643977e-12]
 [-2.33636779e-29 -8.07522665e-29 -4.69643977e-12]
 [-1.11828544e-26 -3.92978983e-26 -2.28012626e-09]
 [ 1.11825857e-26  3.92978387e-26  2.28012626e-09]
 [-1.11827097e-26 -3.92980296e-26 -2.28012626e-09]
 [ 1.11825169e-26  3.92978864e-26  2.28012626e-09]
 [-1.11828475e-26 -3.92978864e-26 -2.28012626e-09]
 [ 1.11825169e-26  3.92978864e-26  2.28012626e-09]
 [-1.15837084e-26 -4.07119170e-26 -2.36214269e-09]
 [ 1.15842595e-26  4.07121079e-26  2.36214269e-09]
 [-1.15838255e-26 -4.07118216e-26 -2.36214269e-09]
 [ 1.15843146e-26  4.07116307e-26  2.36214269e-09]
 [-1.15836258e-26 -4.07116784e-26 -2.36214269e-09]
 [ 1.15843697e-26  4.07117262e-26  2.36214269e-09]
 [-9.37648929e-27 -3.29482107e-26 -1.91171435e-09]
 [ 9.37585560e-27  3.29478290e-26  1.91171435e-09]
 [-9.37651684e-27 -3.29482107e-26 -1.91171435e-09]
 [ 9.37591070e-27  3.29477335e-26  1.91171435e-09]
 [-9.37651684e-27 -3.29482107e-26 -1.91171435e-09]
 [ 9.37613111e-27  3.29481153e-26  1.91171435e-09]
 [-1.01318271e-26 -3.56078532e-26 -2.06600300e-09]
 [ 1.01321027e-26  3.56079487e-26  2.06600300e-09]
 [-1.01318271e-26 -3.56078532e-26 -2.06600300e-09]
 [ 1.01316618e-26  3.56079487e-26  2.06600300e-09]
 [-1.01318271e-26 -3.56078532e-26 -2.06600300e-09]
 [ 1.01315516e-26  3.56079487e-26  2.06600300e-09]
 [-7.87806939e-27 -2.76841307e-26 -1.60627644e-09]
 [ 7.87795918e-27  2.76839398e-26  1.60627644e-09]
 [-7.87828980e-27 -2.76841307e-26 -1.60627644e-09]
 [ 7.87793163e-27  2.76838921e-26  1.60627644e-09]
 [-7.87816582e-27 -2.76842500e-26 -1.60627644e-09]
 [ 7.87790235e-27  2.76838533e-26  1.60627644e-09]]
stress =  [ 1.06215224e-11  1.06215224e-11  5.28109268e-11 -3.01955725e-26
  5.01006764e-26  3.90539559e-27]
energy per atom =  -7.472988510456343
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0