element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:48:17      -88.455451         0.423676
BFGS:    1 16:48:17      -88.465358         0.274898
BFGS:    2 16:48:17      -88.469941         0.251335
BFGS:    3 16:48:17      -88.471032         0.231044
BFGS:    4 16:48:17      -88.477774         0.059901
BFGS:    5 16:48:17      -88.478315         0.028874
BFGS:    6 16:48:17      -88.478336         0.002933
BFGS:    7 16:48:17      -88.478336         0.002691
BFGS:    8 16:48:17      -88.478337         0.002453
BFGS:    9 16:48:17      -88.478338         0.001341
BFGS:   10 16:48:17      -88.478338         0.000883
BFGS:   11 16:48:17      -88.478338         0.000188
BFGS:   12 16:48:17      -88.478338         0.000016
BFGS:   13 16:48:17      -88.478338         0.000001
BFGS:   14 16:48:17      -88.478338         0.000000
BFGS:   15 16:48:17      -88.478338         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.307074750302233e-10 eV/Angstrom
Maximum stress component: 1.0225835360051051e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.03013362e-35 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 3.00804294e-35 6.87500000e-01]
 [0.00000000e+00 3.76751244e-35 8.12500000e-01]
 [2.53727449e-35 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.521344333394175, 1.5582880142513305e-20, 1.1963202332299446e-37], [-1.2606721666970875, 2.1835482444072944, 2.5880083616802065e-37], [7.3310158753595584e-37, 2.608929894961275e-36, 12.352014165216392]])
forces =  [[-3.72935620e-31  1.43542987e-31 -1.69228451e-10]
 [-8.28745822e-32  1.43542987e-31 -1.69228451e-10]
 [-2.90061038e-31  7.17714935e-32  1.69228451e-10]
 [-3.47037313e-31  3.14000284e-31  1.69228451e-10]
 [ 3.31498329e-31 -1.43542987e-31  3.83461219e-10]
 [-3.72935620e-31  7.17714935e-32  3.83461219e-10]
 [-7.45871240e-31  7.17714935e-31 -3.83461219e-10]
 [ 3.72935620e-31 -7.17714935e-32 -3.83461219e-10]
 [ 2.07186456e-31 -7.17714935e-32 -8.30707475e-10]
 [-2.48623747e-31 -1.75459364e-46 -8.30707475e-10]
 [-7.25152594e-32  1.25600114e-31  8.30707475e-10]
 [ 1.76108487e-31 -1.61485860e-31  8.30707475e-10]]
stress =  [-2.76705633e-11 -2.76705633e-11 -1.02258354e-10 -7.31206207e-33
  4.20492173e-45  5.67929078e-27]
energy per atom =  -7.373194853240445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0