element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP10_156_2a2bc_2a2bc
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4', 'z5', 'z6', 'z7', 'z8', 'z9', 'z10']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0942', '4.090201', '0.15006489', '0.75008767', '0.00011035469', '0.59980949', '0.54971634', '0.9503951', '0.39975113', '0.80010106', '0.34996937', '0.19994208']
model name:
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 1.5006489e-01]
 [3.3333333e-01 6.6666667e-01 7.5008767e-01]
 [0.0000000e+00 0.0000000e+00 5.4971634e-01]
 [0.0000000e+00 0.0000000e+00 9.5039510e-01]
 [6.6666667e-01 3.3333333e-01 3.4996937e-01]
 [3.3333333e-01 6.6666667e-01 1.1035469e-04]
 [3.3333333e-01 6.6666667e-01 5.9980949e-01]
 [0.0000000e+00 0.0000000e+00 3.9975113e-01]
 [0.0000000e+00 0.0000000e+00 8.0010106e-01]
 [6.6666667e-01 3.3333333e-01 1.9994208e-01]]
spacegroup =  156
cell =  [[3.0942, 0, 0], [-1.5471, 2.6796558043898, 0], [0, 0, 12.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:20      -63.649182         1.068222
BFGS:    1 16:21:20      -63.672121         0.403764
BFGS:    2 16:21:20      -63.678732         0.314987
BFGS:    3 16:21:20      -63.699927         0.235389
BFGS:    4 16:21:20      -63.701924         0.181390
BFGS:    5 16:21:20      -63.704098         0.120109
BFGS:    6 16:21:20      -63.705188         0.148259
BFGS:    7 16:21:20      -63.706373         0.107654
BFGS:    8 16:21:20      -63.707096         0.086474
BFGS:    9 16:21:20      -63.707674         0.060960
BFGS:   10 16:21:20      -63.707936         0.038312
BFGS:   11 16:21:20      -63.708016         0.035098
BFGS:   12 16:21:20      -63.708052         0.031757
BFGS:   13 16:21:20      -63.708105         0.024210
BFGS:   14 16:21:21      -63.708166         0.024435
BFGS:   15 16:21:21      -63.708204         0.015720
BFGS:   16 16:21:21      -63.708212         0.004018
BFGS:   17 16:21:21      -63.708213         0.000570
BFGS:   18 16:21:21      -63.708213         0.000461
BFGS:   19 16:21:21      -63.708213         0.000352
BFGS:   20 16:21:21      -63.708213         0.000218
BFGS:   21 16:21:21      -63.708213         0.000095
BFGS:   22 16:21:21      -63.708213         0.000022
BFGS:   23 16:21:21      -63.708213         0.000008
BFGS:   24 16:21:21      -63.708213         0.000004
BFGS:   25 16:21:21      -63.708213         0.000002
BFGS:   26 16:21:21      -63.708213         0.000000
BFGS:   27 16:21:21      -63.708213         0.000000
BFGS:   28 16:21:21      -63.708213         0.000000
BFGS:   29 16:21:21      -63.708213         0.000000
Minimization converged after 29 steps.
Maximum force component: 4.726956270850735e-09 eV/Angstrom
Maximum stress component: 1.7591842305966764e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 1.50633215e-01]
 [3.33333330e-01 6.66666670e-01 7.48508864e-01]
 [9.99999997e-01 3.33333328e-09 5.47978292e-01]
 [9.99999997e-01 3.33333328e-09 9.50630150e-01]
 [6.66666663e-01 3.33333337e-01 3.49355891e-01]
 [3.33333330e-01 6.66666670e-01 1.83177294e-03]
 [3.33333330e-01 6.66666670e-01 5.99478095e-01]
 [9.99999997e-01 3.33333328e-09 3.99514736e-01]
 [9.99999997e-01 3.33333328e-09 8.01223330e-01]
 [6.66666663e-01 3.33333337e-01 2.00793139e-01]]
cellpar =  Cell([[3.067167406815616, 2.70238874675209e-18, -5.708366221432666e-41], [-1.533583703407808, 2.6562448919619626, -1.1445364318367571e-40], [-2.3631182923506386e-40, 1.394611759891294e-37, 12.707867952991533]])
forces =  [[-4.46037568e-50  2.63232374e-47  2.39860465e-09]
 [ 8.06522819e-31 -6.98469250e-31 -4.72695627e-09]
 [-2.01630705e-31  3.86091081e-47  3.53429552e-09]
 [-2.01630705e-31 -1.83425499e-47 -1.65520718e-09]
 [-4.89566898e-50  2.88921530e-47  2.63268729e-09]
 [-2.01630705e-31 -6.30440404e-48 -5.58277036e-10]
 [ 2.01630705e-31 -3.89099110e-47 -3.56170504e-09]
 [-6.33681971e-50  3.73972108e-47  3.40767825e-09]
 [-1.61304564e-30  1.39693850e-30 -3.37866124e-09]
 [-3.54720788e-50  2.09341100e-47  1.90754096e-09]]
stress =  [ 2.81660138e-12  2.81660138e-12  1.75918423e-10  5.87513818e-47
  2.03628292e-47 -8.23158061e-28]
energy per atom =  -6.370821296959244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0