element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:14      -32.717657         5.549277
BFGS:    1 16:31:14      -34.794428         2.263884
BFGS:    2 16:31:14      -34.746320         2.496333
BFGS:    3 16:31:14      -34.946738         0.865372
BFGS:    4 16:31:14      -34.984293         0.762074
BFGS:    5 16:31:14      -35.043168         0.680155
BFGS:    6 16:31:14      -35.071201         0.254653
BFGS:    7 16:31:14      -35.073422         0.050258
BFGS:    8 16:31:14      -35.073490         0.018173
BFGS:    9 16:31:14      -35.073502         0.019631
BFGS:   10 16:31:14      -35.073536         0.020853
BFGS:   11 16:31:14      -35.073584         0.026219
BFGS:   12 16:31:14      -35.073633         0.022284
BFGS:   13 16:31:14      -35.073652         0.008751
BFGS:   14 16:31:14      -35.073655         0.001172
BFGS:   15 16:31:14      -35.073655         0.000054
BFGS:   16 16:31:14      -35.073655         0.000007
BFGS:   17 16:31:14      -35.073655         0.000000
BFGS:   18 16:31:14      -35.073655         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.7817235143290037e-09 eV/Angstrom
Maximum stress component: 1.47516006358064e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.17044669e-01 8.17044669e-01 0.00000000e+00]
 [1.82955331e-01 1.82955331e-01 0.00000000e+00]
 [1.82955331e-01 8.17044669e-01 0.00000000e+00]
 [8.17044669e-01 1.82955331e-01 9.79172219e-35]
 [3.17044669e-01 3.17044669e-01 5.00000000e-01]
 [6.82955331e-01 6.82955331e-01 5.00000000e-01]
 [6.82955331e-01 3.17044669e-01 5.00000000e-01]
 [3.17044669e-01 6.82955331e-01 5.00000000e-01]]
cellpar =  Cell([[6.823441014710392, -2.4485537849404436e-36, 1.906193826869017e-32], [3.920735064275118e-36, 6.823441014710393, 1.3671915874831658e-17], [6.3606469002721e-33, 7.825369727508182e-18, 3.9337920483112887]])
forces =  [[-1.78172351e-09 -1.78172351e-09 -3.56995957e-27]
 [ 1.78172351e-09  1.78172351e-09  3.56999594e-27]
 [ 1.78172351e-09 -1.78172351e-09 -3.56999594e-27]
 [-1.78172351e-09  1.78172351e-09  3.56994745e-27]
 [-1.78172351e-09 -1.78172351e-09 -3.57002624e-27]
 [ 1.78172351e-09  1.78172351e-09  3.56998382e-27]
 [ 1.78172351e-09 -1.78172351e-09 -3.56996563e-27]
 [-1.78172351e-09  1.78172351e-09  3.56997170e-27]]
stress =  [-1.47516006e-11 -1.47516006e-11  1.27888035e-11 -3.87598265e-27
 -8.03606921e-34  1.67958551e-49]
energy per atom =  -4.384206886787417
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0