element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:44     -141.690883         0.475081
BFGS:    1 16:37:44     -141.703593         0.462503
BFGS:    2 16:37:44     -141.735480         0.405934
BFGS:    3 16:37:44     -141.773884         0.321423
BFGS:    4 16:37:44     -141.805376         0.276990
BFGS:    5 16:37:44     -141.832178         0.227916
BFGS:    6 16:37:44     -141.844300         0.081277
BFGS:    7 16:37:44     -141.845335         0.018847
BFGS:    8 16:37:44     -141.845430         0.001258
BFGS:    9 16:37:44     -141.845431         0.000196
BFGS:   10 16:37:44     -141.845431         0.000015
BFGS:   11 16:37:44     -141.845431         0.000002
BFGS:   12 16:37:44     -141.845431         0.000000
BFGS:   13 16:37:44     -141.845431         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.773596180088677e-09 eV/Angstrom
Maximum stress component: 1.8704139122486103e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.26291497 0.26291497 0.26291497]
 [0.73708503 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.73708503]
 [0.26291497 0.73708503 0.73708503]
 [0.26291497 0.26291497 0.73708503]
 [0.73708503 0.73708503 0.73708503]
 [0.26291497 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.26291497]
 [0.5        0.15201159 0.15201159]
 [0.5        0.84798841 0.15201159]
 [0.5        0.15201159 0.84798841]
 [0.5        0.84798841 0.84798841]
 [0.15201159 0.5        0.15201159]
 [0.15201159 0.5        0.84798841]
 [0.84798841 0.5        0.15201159]
 [0.84798841 0.5        0.84798841]
 [0.15201159 0.15201159 0.5       ]
 [0.84798841 0.15201159 0.5       ]
 [0.15201159 0.84798841 0.5       ]
 [0.84798841 0.84798841 0.5       ]]
cellpar =  Cell([[5.2702813848598415, -1.969696631736038e-32, -1.6212780524590353e-32], [6.379095351000429e-33, 5.2702813848598415, 1.4848606867057383e-17], [-1.1387767862286998e-32, 1.4848606867057343e-17, 5.2702813848598415]])
forces =  [[-4.77359618e-09 -4.77359618e-09 -4.77359618e-09]
 [ 4.77359618e-09  4.77359618e-09 -4.77359618e-09]
 [ 4.77359618e-09 -4.77359618e-09  4.77359618e-09]
 [-4.77359618e-09  4.77359618e-09  4.77359618e-09]
 [-4.77359618e-09 -4.77359618e-09  4.77359618e-09]
 [ 4.77359618e-09  4.77359618e-09  4.77359618e-09]
 [-4.77359618e-09  4.77359618e-09 -4.77359618e-09]
 [ 4.77359618e-09 -4.77359618e-09 -4.77359618e-09]
 [ 2.36304109e-42 -2.48646551e-09 -2.48646551e-09]
 [-1.73229956e-31  2.48646551e-09 -2.48646551e-09]
 [-8.38222658e-42 -2.48646551e-09  2.48646551e-09]
 [ 1.73229956e-31  2.48646551e-09  2.48646551e-09]
 [-2.48646551e-09 -7.00542271e-27 -2.48646551e-09]
 [-2.48646551e-09  7.00524948e-27  2.48646551e-09]
 [ 2.48646551e-09 -7.00542271e-27 -2.48646551e-09]
 [ 2.48646551e-09  7.00559594e-27  2.48646551e-09]
 [-2.48646551e-09 -2.48646551e-09 -7.00542271e-27]
 [ 2.48646551e-09 -2.48646551e-09 -7.00559594e-27]
 [-2.48646551e-09  2.48646551e-09  7.00542271e-27]
 [ 2.48646551e-09  2.48646551e-09  7.00559594e-27]]
stress =  [ 1.87041391e-11  1.87041391e-11  1.87041391e-11 -1.00362681e-26
 -4.43764803e-34  1.37698356e-49]
energy per atom =  -7.092271569784911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0