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 15:16:24      -50.899173         0.659042
BFGS:    1 15:16:24      -50.918594         0.398870
BFGS:    2 15:16:24      -50.924248         0.362256
BFGS:    3 15:16:24      -50.950674         0.142292
BFGS:    4 15:16:24      -50.953872         0.116598
BFGS:    5 15:16:24      -50.954411         0.056648
BFGS:    6 15:16:24      -50.954639         0.043271
BFGS:    7 15:16:24      -50.954695         0.039841
BFGS:    8 15:16:24      -50.954771         0.029814
BFGS:    9 15:16:24      -50.954833         0.017073
BFGS:   10 15:16:24      -50.954873         0.009905
BFGS:   11 15:16:24      -50.954883         0.004031
BFGS:   12 15:16:24      -50.954883         0.000731
BFGS:   13 15:16:24      -50.954883         0.000088
BFGS:   14 15:16:24      -50.954883         0.000011
BFGS:   15 15:16:24      -50.954883         0.000001
BFGS:   16 15:16:24      -50.954883         0.000000
BFGS:   17 15:16:24      -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 =  [[8.66925170e-37 0.00000000e+00 1.19924783e-03]
 [0.00000000e+00 0.00000000e+00 5.01199248e-01]
 [3.33333333e-01 6.66666667e-01 7.50709661e-01]
 [6.66666667e-01 3.33333333e-01 2.50709661e-01]
 [0.00000000e+00 1.51283218e-37 1.86500503e-01]
 [2.35036690e-37 1.54502161e-37 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, 8.230874579045791e-18, 1.573473973899484e-38], [-1.5309005159916276, 2.6515974750309095, 2.0161401537334042e-38], [-1.9961034709547363e-37, 2.4166897478399305e-37, 10.199500526854125]])
forces =  [[ 1.00638964e-31  1.13443411e-46  4.77639606e-09]
 [-9.34769376e-47  1.13172869e-46  4.77639606e-09]
 [ 5.03194820e-32  2.61467698e-31 -5.64617688e-09]
 [-3.01916892e-31  1.74311799e-31 -5.64617688e-09]
 [ 3.78734286e-48 -4.58534980e-48 -1.93522059e-10]
 [ 3.78734286e-48 -4.58534980e-48 -1.93522059e-10]
 [-1.00638964e-31  2.49235586e-47  1.06330258e-09]
 [-5.03194820e-32 -8.71558994e-32  1.06330258e-09]]
stress =  [ 1.38648529e-10  1.38648529e-10 -2.27046769e-10  1.21535371e-33
 -1.05252719e-33 -1.47839389e-26]
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