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_Wagner_2007_SiC__MO_430846853065_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 12:10:40      -51.447616         0.446853
BFGS:    1 12:10:40      -51.450030         0.311593
BFGS:    2 12:10:40      -51.453108         0.170197
BFGS:    3 12:10:40      -51.454656         0.180931
BFGS:    4 12:10:40      -51.458053         0.186557
BFGS:    5 12:10:40      -51.459511         0.131377
BFGS:    6 12:10:40      -51.459948         0.031057
BFGS:    7 12:10:40      -51.459978         0.006898
BFGS:    8 12:10:40      -51.459981         0.007009
BFGS:    9 12:10:40      -51.459985         0.007040
BFGS:   10 12:10:40      -51.459992         0.006465
BFGS:   11 12:10:40      -51.459997         0.005129
BFGS:   12 12:10:40      -51.460000         0.002333
BFGS:   13 12:10:40      -51.460000         0.000408
BFGS:   14 12:10:40      -51.460000         0.000022
BFGS:   15 12:10:40      -51.460000         0.000003
BFGS:   16 12:10:40      -51.460000         0.000000
BFGS:   17 12:10:40      -51.460000         0.000000
BFGS:   18 12:10:40      -51.460000         0.000000
BFGS:   19 12:10:40      -51.460000         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.875046145600635e-09 eV/Angstrom
Maximum stress component: 9.901019653481232e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[5.48075102e-36 9.97604403e-36 1.82063734e-09]
 [1.18411483e-35 1.07861388e-35 5.00000002e-01]
 [3.33333333e-01 6.66666667e-01 7.50000002e-01]
 [6.66666667e-01 3.33333333e-01 2.50000002e-01]
 [0.00000000e+00 0.00000000e+00 1.87500002e-01]
 [1.66285534e-37 3.78240567e-37 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.082764488483636, 2.3675463893276956e-18, 8.634691201071469e-39], [-1.541382244241818, 2.66975236091137, -3.614549779959844e-39], [3.646817911406391e-37, 1.2052424698914378e-38, 10.068266658878438]])
forces =  [[ 6.03546111e-47  1.99466884e-48  1.66629191e-09]
 [-3.03984048e-31  1.75505272e-31  1.66629191e-09]
 [ 5.06640080e-31 -1.75505272e-31  2.18974103e-09]
 [ 1.01328016e-31  3.51010544e-31  2.18974103e-09]
 [ 1.01328016e-31 -3.36381347e-48 -2.87504615e-09]
 [-1.04136791e-46 -3.44163284e-48 -2.87504615e-09]
 [ 5.06640080e-31 -1.75505272e-31 -9.80986736e-10]
 [-6.07968096e-31  3.51010544e-31 -9.80986736e-10]]
stress =  [-9.90101965e-11 -9.90101965e-11  9.23077792e-11  3.66846819e-33
 -4.71490786e-46 -5.85092972e-26]
energy per atom =  -6.432499999995336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0