element(s):
['C']
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:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:32:04      -56.030818         0.941348
BFGS:    1 17:32:04      -56.043615         0.886570
BFGS:    2 17:32:04      -56.083142         0.632617
BFGS:    3 17:32:04      -56.110972         0.399847
BFGS:    4 17:32:04      -56.127473         0.173401
BFGS:    5 17:32:04      -56.133223         0.117205
BFGS:    6 17:32:04      -56.133661         0.107985
BFGS:    7 17:32:04      -56.135593         0.060500
BFGS:    8 17:32:04      -56.136101         0.031576
BFGS:    9 17:32:04      -56.136208         0.004386
BFGS:   10 17:32:04      -56.136211         0.000402
BFGS:   11 17:32:04      -56.136211         0.000018
BFGS:   12 17:32:04      -56.136211         0.000001
BFGS:   13 17:32:04      -56.136211         0.000000
BFGS:   14 17:32:04      -56.136211         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.4712242359140275e-09 eV/Angstrom
Maximum stress component: 6.09232149095483e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.18900468e-01 8.18900468e-01 8.96607854e-34]
 [1.81099532e-01 1.81099532e-01 3.73586606e-34]
 [1.81099532e-01 8.18900468e-01 8.96607854e-34]
 [8.18900468e-01 1.81099532e-01 3.73586606e-34]
 [3.18900468e-01 3.18900468e-01 5.00000000e-01]
 [6.81099532e-01 6.81099532e-01 5.00000000e-01]
 [6.81099532e-01 3.18900468e-01 5.00000000e-01]
 [3.18900468e-01 6.81099532e-01 5.00000000e-01]]
cellpar =  Cell([[4.347645819318143, -3.456384871823641e-37, 1.0711003293877879e-32], [1.3513051481165361e-36, 4.347645819318144, 5.898871234435047e-18], [-8.510040152975703e-33, 3.3298597712285762e-18, 2.577621780727339]])
forces =  [[-1.47122424e-09 -1.47122424e-09 -1.99602501e-27]
 [ 1.47122424e-09  1.47122424e-09  1.99615210e-27]
 [ 1.47122424e-09 -1.47122424e-09 -1.99646981e-27]
 [-1.47122424e-09  1.47122424e-09  1.99640627e-27]
 [-1.47122424e-09 -1.47122424e-09 -1.99621564e-27]
 [ 1.47122424e-09  1.47122424e-09  1.99615210e-27]
 [ 1.47122424e-09 -1.47122424e-09 -1.99627918e-27]
 [-1.47122424e-09  1.47122424e-09  1.99608855e-27]]
stress =  [-2.34726099e-11 -2.34726099e-11  6.09232149e-11 -1.48848483e-27
 -1.48195979e-43  1.03397382e-59]
energy per atom =  -7.017026410395585
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0