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:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== 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 12:12:14      -51.447616         0.446853
BFGS:    1 12:12:14      -51.450030         0.311593
BFGS:    2 12:12:14      -51.453108         0.170197
BFGS:    3 12:12:14      -51.454656         0.180931
BFGS:    4 12:12:14      -51.458053         0.186557
BFGS:    5 12:12:14      -51.459511         0.131377
BFGS:    6 12:12:14      -51.459948         0.031057
BFGS:    7 12:12:14      -51.459978         0.006898
BFGS:    8 12:12:14      -51.459981         0.007009
BFGS:    9 12:12:14      -51.459985         0.007040
BFGS:   10 12:12:14      -51.459992         0.006465
BFGS:   11 12:12:14      -51.459997         0.005129
BFGS:   12 12:12:14      -51.460000         0.002333
BFGS:   13 12:12:14      -51.460000         0.000408
BFGS:   14 12:12:14      -51.460000         0.000022
BFGS:   15 12:12:14      -51.460000         0.000003
BFGS:   16 12:12:14      -51.460000         0.000000
BFGS:   17 12:12:14      -51.460000         0.000000
BFGS:   18 12:12:14      -51.460000         0.000000
BFGS:   19 12:12:15      -51.460000         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.8750642977470875e-09 eV/Angstrom
Maximum stress component: 9.901131892289857e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.00429296e-37 1.91139935e-35 1.82063786e-09]
 [2.06303812e-35 5.25658560e-36 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]
 [0.00000000e+00 2.22154848e-37 6.87500002e-01]
 [3.33333333e-01 6.66666667e-01 9.37500002e-01]
 [6.66666667e-01 3.33333333e-01 4.37500002e-01]]
cellpar =  Cell([[3.082764488483638, 8.606865554456663e-19, 4.1017838973706245e-38], [-1.541382244241819, 2.6697523609113705, 8.333851456540033e-38], [5.3837614985882786e-37, 3.217282085529805e-36, 10.068266658878445]])
forces =  [[ 4.05312064e-31 -7.02021088e-31  1.66626102e-09]
 [-6.33300100e-31  8.77526360e-32  1.66626102e-09]
 [ 9.45943135e-47 -7.02021088e-31  2.18978891e-09]
 [-9.11952144e-31  5.26515816e-31  2.18978891e-09]
 [-1.42487423e-46  3.51010544e-31 -2.87506430e-09]
 [ 2.02656032e-31  3.51010544e-31 -2.87506430e-09]
 [ 2.02656032e-30 -7.02021088e-31 -9.80985626e-10]
 [-5.57304088e-31  2.41319749e-31 -9.80985626e-10]]
stress =  [-9.90113189e-11 -9.90113189e-11  9.23077218e-11 -1.45308342e-45
  1.05899555e-33  9.97039372e-27]
energy per atom =  -6.432499999995333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0