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_KangEunJun_2014_SiC__MO_477506997611_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     -101.891529        0.7461
BFGS:    1 15:26:10     -101.911502        0.2979
BFGS:    2 15:26:10     -101.916980        0.2789
BFGS:    3 15:26:10     -101.934289        0.1691
BFGS:    4 15:26:10     -101.936088        0.1533
BFGS:    5 15:26:10     -101.943735        0.1507
BFGS:    6 15:26:10     -101.947494        0.1489
BFGS:    7 15:26:10     -101.949666        0.0733
BFGS:    8 15:26:10     -101.950096        0.0646
BFGS:    9 15:26:10     -101.950253        0.0601
BFGS:   10 15:26:10     -101.950368        0.0548
BFGS:   11 15:26:10     -101.950541        0.0454
BFGS:   12 15:26:10     -101.950786        0.0455
BFGS:   13 15:26:10     -101.951061        0.0460
BFGS:   14 15:26:10     -101.951215        0.0257
BFGS:   15 15:26:10     -101.951251        0.0082
BFGS:   16 15:26:10     -101.951257        0.0052
BFGS:   17 15:26:10     -101.951260        0.0043
BFGS:   18 15:26:10     -101.951263        0.0032
BFGS:   19 15:26:10     -101.951264        0.0012
BFGS:   20 15:26:10     -101.951264        0.0002
BFGS:   21 15:26:10     -101.951264        0.0000
BFGS:   22 15:26:10     -101.951264        0.0000
BFGS:   23 15:26:10     -101.951264        0.0000
BFGS:   24 15:26:10     -101.951264        0.0000
BFGS:   25 15:26:10     -101.951264        0.0000
BFGS:   26 15:26:10     -101.951264        0.0000
Minimization converged after 26 steps.
Maximum force component: 3.411252891272199e-09 eV/Angstrom
Maximum stress component: 1.0357205920233991e-10 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 6.74655975e-35 9.35659596e-02]
 [7.51612025e-36 0.00000000e+00 5.93565960e-01]
 [3.33333333e-01 6.66666667e-01 3.43772151e-01]
 [6.66666667e-01 3.33333333e-01 8.43772151e-01]
 [3.33333333e-01 6.66666667e-01 7.17856119e-01]
 [6.66666667e-01 3.33333333e-01 2.17856119e-01]
 [3.33333333e-01 6.66666667e-01 9.69190745e-01]
 [6.66666667e-01 3.33333333e-01 4.69190745e-01]
 [0.00000000e+00 0.00000000e+00 5.14944281e-04]
 [0.00000000e+00 2.84761847e-36 5.00514944e-01]
 [3.33333333e-01 6.66666667e-01 6.24889082e-01]
 [6.66666667e-01 3.33333333e-01 1.24889082e-01]
 [3.33333333e-01 6.66666667e-01 2.50270875e-01]
 [6.66666667e-01 3.33333333e-01 7.50270875e-01]
 [3.33333333e-01 6.66666667e-01 8.75940123e-01]
 [6.66666667e-01 3.33333333e-01 3.75940123e-01]]
cellpar =  Cell([[3.0705720702495523, 2.2715609130242288e-18, 3.5981607599697726e-37], [-1.5352860351247761, 2.6591934169870854, 4.221425533076828e-37], [-4.103808600391995e-38, 3.449784760004167e-36, 20.28839808301842]])
forces =  [[ 1.00927261e-31  5.24433432e-31  3.41125289e-09]
 [-2.01854522e-31  3.49622288e-31  3.41125289e-09]
 [ 4.65231766e-49 -3.91087795e-47 -2.30001157e-10]
 [ 4.65231766e-49 -3.91087795e-47 -2.30001157e-10]
 [ 3.87481473e-49 -3.25728563e-47 -1.91562988e-10]
 [ 3.87481473e-49 -3.25728563e-47 -1.91562988e-10]
 [-1.00927261e-30  3.49622288e-31 -2.05825801e-09]
 [ 3.02781783e-31 -5.24433432e-31 -2.05825801e-09]
 [ 1.00927261e-30 -3.49622288e-31 -2.93133962e-10]
 [-1.11019987e-30  5.24433432e-31 -2.93133962e-10]
 [ 2.01854522e-31  3.49622288e-31 -2.67164674e-09]
 [-4.03709044e-31  6.99244575e-31 -2.67164674e-09]
 [-8.07418088e-31  6.99244575e-31  2.48941875e-09]
 [ 6.05563566e-31 -3.49622288e-31  2.48941875e-09]
 [ 1.11019987e-30 -5.24433432e-31 -4.56068738e-10]
 [-6.05563566e-31  3.49622288e-31 -4.56068738e-10]]
stress =  [-6.82559531e-11 -6.82559531e-11 -1.03572059e-10 -1.94881247e-45
 -6.75233168e-46  1.30254678e-26]
energy per atom =  -6.371954003390067
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0