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_2005SiII_SiC__MO_408791041969_004
==== 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     -141.690882         0.475081
BFGS:    1 16:37:44     -141.703592         0.462503
BFGS:    2 16:37:44     -141.735478         0.405934
BFGS:    3 16:37:44     -141.773882         0.321423
BFGS:    4 16:37:44     -141.805374         0.276990
BFGS:    5 16:37:44     -141.832176         0.227916
BFGS:    6 16:37:44     -141.844299         0.081277
BFGS:    7 16:37:44     -141.845334         0.018847
BFGS:    8 16:37:44     -141.845429         0.001258
BFGS:    9 16:37:44     -141.845430         0.000196
BFGS:   10 16:37:44     -141.845430         0.000015
BFGS:   11 16:37:44     -141.845430         0.000002
BFGS:   12 16:37:44     -141.845430         0.000000
BFGS:   13 16:37:44     -141.845430         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.773607641695802e-09 eV/Angstrom
Maximum stress component: 1.8696801611541117e-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([[5.270281391100478, -4.044417816719161e-32, -1.7662457661972798e-32], [1.092206489311737e-32, 5.270281391100478, 1.1104119977319853e-17], [-9.140000374880851e-33, 1.1104119977319858e-17, 5.270281391100478]])
forces =  [[-4.77360764e-09 -4.77360764e-09 -4.77360764e-09]
 [ 4.77360764e-09  4.77360764e-09 -4.77360764e-09]
 [ 4.77360764e-09 -4.77360764e-09  4.77360764e-09]
 [-4.77360764e-09  4.77360764e-09  4.77360764e-09]
 [-4.77360764e-09 -4.77360764e-09  4.77360764e-09]
 [ 4.77360764e-09  4.77360764e-09  4.77360764e-09]
 [-4.77360764e-09  4.77360764e-09 -4.77360764e-09]
 [ 4.77360764e-09 -4.77360764e-09 -4.77360764e-09]
 [ 4.33074891e-32 -2.48659776e-09 -2.48659776e-09]
 [ 9.46558311e-42  2.48659776e-09 -2.48659776e-09]
 [-8.66149781e-32 -2.48659776e-09  2.48659776e-09]
 [ 8.40804752e-43  2.48659776e-09  2.48659776e-09]
 [-2.48659776e-09 -5.23898198e-27 -2.48659776e-09]
 [-2.48659776e-09  5.23894409e-27  2.48659776e-09]
 [ 2.48659776e-09 -5.23904694e-27 -2.48659776e-09]
 [ 2.48659776e-09  5.23909025e-27  2.48659776e-09]
 [-2.48659776e-09 -2.48659776e-09 -5.23900363e-27]
 [ 2.48659776e-09 -2.48659776e-09 -5.23909025e-27]
 [-2.48659776e-09  2.48659776e-09  5.23900363e-27]
 [ 2.48659776e-09  2.48659776e-09  5.23903612e-27]]
stress =  [ 1.86968016e-11  1.86968016e-11  1.86968016e-11  2.17125088e-27
 -5.91686402e-34 -1.15298730e-49]
energy per atom =  -7.092271491040224
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0