element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP16_186_a3b_a3b
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0944', '6.5432717', '0.093915855', '8.6112634e-05', '0.84410353', '0.21875375', '0.46888551', '0.12501023', '0.75009154', '0.37515347']
model name:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 9.3915855e-02]
 [3.3333333e-01 6.6666667e-01 3.4410353e-01]
 [3.3333333e-01 6.6666667e-01 7.1875375e-01]
 [3.3333333e-01 6.6666667e-01 9.6888551e-01]
 [0.0000000e+00 0.0000000e+00 8.6112634e-05]
 [3.3333333e-01 6.6666667e-01 6.2501023e-01]
 [3.3333333e-01 6.6666667e-01 2.5009154e-01]
 [3.3333333e-01 6.6666667e-01 8.7515347e-01]]
spacegroup =  186
cell =  [[3.0944, 0, 0], [-1.5472, 2.6798290094706, 0], [0, 0, 20.2475]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:26:10     -102.897587        0.3779
BFGS:    1 15:26:10     -102.900184        0.2235
BFGS:    2 15:26:10     -102.903357        0.1834
BFGS:    3 15:26:10     -102.905515        0.1987
BFGS:    4 15:26:10     -102.911532        0.2095
BFGS:    5 15:26:10     -102.916290        0.2210
BFGS:    6 15:26:10     -102.919026        0.1174
BFGS:    7 15:26:10     -102.919611        0.0473
BFGS:    8 15:26:10     -102.919785        0.0378
BFGS:    9 15:26:10     -102.919906        0.0335
BFGS:   10 15:26:10     -102.919967        0.0142
BFGS:   11 15:26:10     -102.919977        0.0065
BFGS:   12 15:26:10     -102.919979        0.0063
BFGS:   13 15:26:11     -102.919982        0.0056
BFGS:   14 15:26:11     -102.919987        0.0056
BFGS:   15 15:26:11     -102.919994        0.0060
BFGS:   16 15:26:11     -102.919999        0.0035
BFGS:   17 15:26:11     -102.920000        0.0008
BFGS:   18 15:26:11     -102.920000        0.0001
BFGS:   19 15:26:11     -102.920000        0.0000
BFGS:   20 15:26:11     -102.920000        0.0000
BFGS:   21 15:26:11     -102.920000        0.0000
BFGS:   22 15:26:11     -102.920000        0.0000
BFGS:   23 15:26:11     -102.920000        0.0000
BFGS:   24 15:26:11     -102.920000        0.0000
BFGS:   25 15:26:11     -102.920000        0.0000
BFGS:   26 15:26:11     -102.920000        0.0000
BFGS:   27 15:26:11     -102.920000        0.0000
BFGS:   28 15:26:11     -102.920000        0.0000
Minimization converged after 28 steps.
Maximum force component: 6.50677983715653e-09 eV/Angstrom
Maximum stress component: 6.105612337864961e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 2.41317068e-35 9.38749997e-02]
 [1.43935037e-35 4.21901895e-36 5.93875000e-01]
 [3.33333333e-01 6.66666667e-01 3.43875000e-01]
 [6.66666667e-01 3.33333333e-01 8.43875000e-01]
 [3.33333333e-01 6.66666667e-01 7.18875000e-01]
 [6.66666667e-01 3.33333333e-01 2.18875000e-01]
 [3.33333333e-01 6.66666667e-01 9.68875000e-01]
 [6.66666667e-01 3.33333333e-01 4.68875000e-01]
 [2.24564573e-36 3.53301961e-37 1.24999704e-04]
 [9.24345673e-37 2.57961223e-36 5.00125000e-01]
 [3.33333333e-01 6.66666667e-01 6.25125000e-01]
 [6.66666667e-01 3.33333333e-01 1.25125000e-01]
 [3.33333333e-01 6.66666667e-01 2.50125000e-01]
 [6.66666667e-01 3.33333333e-01 7.50125000e-01]
 [3.33333333e-01 6.66666667e-01 8.75125000e-01]
 [6.66666667e-01 3.33333333e-01 3.75125000e-01]]
cellpar =  Cell([[3.0827644885440906, 2.456082319728966e-18, 8.084155364974646e-38], [-1.5413822442720453, 2.6697523609637233, 1.6337197369688003e-37], [6.5792071831164376e-37, 2.0665661807144243e-36, 20.136533317002176]])
forces =  [[ 4.05312064e-31  7.02021088e-31 -3.03135950e-09]
 [ 4.05312064e-31  7.02021088e-31 -3.03135950e-09]
 [ 4.05312064e-31 -7.02021088e-31 -2.71251760e-09]
 [-8.86260559e-47 -2.78379453e-46 -2.71251760e-09]
 [ 1.62124826e-30  3.05349125e-47  2.84944901e-10]
 [-1.21593619e-30  2.10606326e-30  2.84944901e-10]
 [ 8.10624128e-31 -5.37102142e-46 -5.23979352e-09]
 [-4.05312064e-31  7.02021088e-31 -5.23979352e-09]
 [-4.05312064e-31 -7.02021088e-31  2.89268837e-09]
 [-4.05312064e-31 -7.02021088e-31  2.89268837e-09]
 [ 2.39903555e-47  7.53550633e-47  7.34256544e-10]
 [ 2.39903555e-47  7.53550633e-47  7.34256544e-10]
 [ 1.62124826e-30  5.92764316e-47  5.65001046e-10]
 [-4.05312064e-31  7.02021088e-31  5.65001046e-10]
 [-4.45843271e-30  2.10606326e-30  6.50677984e-09]
 [ 2.02656032e-30 -7.02021088e-31  6.50677984e-09]]
stress =  [-6.10561234e-11 -6.10561234e-11  2.32821774e-11  1.22282273e-33
 -2.11799110e-33  3.83638953e-28]
energy per atom =  -6.432499999995338
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0