element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:01:10      -13.504695         2.676531
BFGS:    1 20:01:10      -13.690412         2.185722
BFGS:    2 20:01:10      -13.879316         1.602506
BFGS:    3 20:01:11      -14.013229         1.079890
BFGS:    4 20:01:11      -14.098111         0.612433
BFGS:    5 20:01:11      -14.139290         0.195306
BFGS:    6 20:01:11      -14.145176         0.147376
BFGS:    7 20:01:11      -14.145535         0.122218
BFGS:    8 20:01:11      -14.146049         0.056046
BFGS:    9 20:01:11      -14.146250         0.016917
BFGS:   10 20:01:11      -14.146290         0.003404
BFGS:   11 20:01:11      -14.146292         0.000602
BFGS:   12 20:01:11      -14.146292         0.000035
BFGS:   13 20:01:11      -14.146292         0.000001
BFGS:   14 20:01:12      -14.146292         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.468572163598859e-31 eV/Angstrom
Maximum stress component: 4.602665330546097e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.53940496e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.1332197361041, 2.705123051423648e-36, 5.5329049578762006e-39], [5.5316647107904055e-37, 5.133219736104102, -5.428294028904657e-19], [-6.565192362069155e-38, -2.93158832933848e-19, 2.6246286065273017]])
forces =  [[-4.46857216e-31  6.32718182e-32 -1.61755226e-32]
 [-1.42361591e-31 -6.32718182e-32  2.42632840e-32]
 [ 9.49077274e-32  4.42902728e-31  1.61755226e-32]
 [-3.95448864e-32 -3.47995000e-31  1.61755226e-32]]
stress =  [-4.60266533e-10 -4.60266533e-10  1.73832457e-10  6.49235297e-28
  5.71798173e-35  1.96140106e-52]
energy per atom =  -3.5365730324646663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0