element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP8_186_ab_ab
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0934', '3.2733562', '0.00019436728', '0.18764075', '0.74957521', '0.93758968']
model name:
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'Si', 'Si']
representative atom coordinates =  [[0.0000000e+00 0.0000000e+00 1.9436728e-04]
 [3.3333333e-01 6.6666667e-01 7.4957521e-01]
 [0.0000000e+00 0.0000000e+00 1.8764075e-01]
 [3.3333333e-01 6.6666667e-01 9.3758968e-01]]
spacegroup =  186
cell =  [[3.0934, 0, 0], [-1.5467, 2.6789629840668, 0], [0, 0, 10.1258]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:12:34      -50.899173         0.659042
BFGS:    1 13:12:34      -50.918594         0.398870
BFGS:    2 13:12:34      -50.924248         0.362256
BFGS:    3 13:12:34      -50.950674         0.142292
BFGS:    4 13:12:34      -50.953872         0.116598
BFGS:    5 13:12:34      -50.954411         0.056648
BFGS:    6 13:12:34      -50.954639         0.043271
BFGS:    7 13:12:34      -50.954695         0.039841
BFGS:    8 13:12:34      -50.954771         0.029814
BFGS:    9 13:12:34      -50.954833         0.017073
BFGS:   10 13:12:34      -50.954873         0.009905
BFGS:   11 13:12:34      -50.954883         0.004031
BFGS:   12 13:12:34      -50.954883         0.000731
BFGS:   13 13:12:34      -50.954883         0.000088
BFGS:   14 13:12:34      -50.954883         0.000011
BFGS:   15 13:12:34      -50.954883         0.000001
BFGS:   16 13:12:34      -50.954883         0.000000
BFGS:   17 13:12:34      -50.954883         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.64617688020297e-09 eV/Angstrom
Maximum stress component: 2.2704676873095115e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.72757603e-35 0.00000000e+00 1.19924783e-03]
 [0.00000000e+00 3.39950534e-35 5.01199248e-01]
 [3.33333333e-01 6.66666667e-01 7.50709661e-01]
 [6.66666667e-01 3.33333333e-01 2.50709661e-01]
 [0.00000000e+00 7.74332486e-36 1.86500503e-01]
 [4.60843147e-36 0.00000000e+00 6.86500503e-01]
 [3.33333333e-01 6.66666667e-01 9.36590596e-01]
 [6.66666667e-01 3.33333333e-01 4.36590596e-01]]
cellpar =  Cell([[3.061801031983255, 8.412326416906734e-18, -3.585189806150829e-38], [-1.5309005159916276, 2.6515974750309095, -7.777258295336371e-38], [-3.0074676893585142e-37, -5.006013553647612e-36, 10.199500526854125]])
forces =  [[ 1.00638964e-31 -2.34402490e-45  4.77639606e-09]
 [-1.40838826e-46 -2.34430140e-45  4.77639606e-09]
 [ 5.03194820e-32  2.61467698e-31 -5.64617688e-09]
 [-3.01916892e-31  1.74311799e-31 -5.64617688e-09]
 [ 5.70627296e-48  9.49824994e-47 -1.93522059e-10]
 [ 5.70627296e-48  9.49824994e-47 -1.93522059e-10]
 [-1.00638964e-31 -5.22155704e-46  1.06330258e-09]
 [-5.03194820e-32 -8.71558994e-32  1.06330258e-09]]
stress =  [ 1.38648529e-10  1.38648529e-10 -2.27046769e-10  6.07676854e-34
 -5.26263593e-34 -7.47958009e-27]
energy per atom =  -6.36936043713076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0