element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:16      -25.599035        1.0771
BFGS:    1 15:41:16      -25.636384        0.8924
BFGS:    2 15:41:16      -25.716788        0.3611
BFGS:    3 15:41:16      -25.735022        0.0708
BFGS:    4 15:41:16      -25.735274        0.0192
BFGS:    5 15:41:16      -25.735290        0.0211
BFGS:    6 15:41:16      -25.735313        0.0182
BFGS:    7 15:41:16      -25.735332        0.0123
BFGS:    8 15:41:16      -25.735338        0.0053
BFGS:    9 15:41:16      -25.735339        0.0008
BFGS:   10 15:41:16      -25.735339        0.0000
BFGS:   11 15:41:16      -25.735339        0.0000
BFGS:   12 15:41:16      -25.735339        0.0000
BFGS:   13 15:41:16      -25.735339        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.198741571284412e-09 eV/Angstrom
Maximum stress component: 2.4214570295184143e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000004e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.026129207259373, -3.429112752850858e-18, -2.0140423133144626e-37], [-1.5130646036296864, 2.6207047686206812, 2.002092891259943e-37], [6.143541066959182e-38, 2.4947113165064506e-37, 4.941648302435669]])
forces =  [[-1.79039627e-30  3.44561923e-31 -1.19874083e-09]
 [ 1.29306397e-30 -8.61404807e-31 -1.19874083e-09]
 [-9.94664594e-32  1.72280961e-31  1.19874157e-09]
 [ 8.45464905e-31 -8.61404807e-32  1.19874157e-09]]
stress =  [-1.26696550e-12 -1.26696550e-12 -2.42145703e-12 -5.07608932e-33
 -1.08190404e-48 -3.49267032e-28]
energy per atom =  -6.433834787534094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0