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 12:37:50      -63.649182         1.068222
BFGS:    1 12:37:50      -63.672121         0.403764
BFGS:    2 12:37:50      -63.678732         0.314987
BFGS:    3 12:37:50      -63.699927         0.235389
BFGS:    4 12:37:50      -63.701924         0.181390
BFGS:    5 12:37:50      -63.704098         0.120109
BFGS:    6 12:37:50      -63.705188         0.148259
BFGS:    7 12:37:50      -63.706373         0.107654
BFGS:    8 12:37:50      -63.707096         0.086474
BFGS:    9 12:37:50      -63.707674         0.060960
BFGS:   10 12:37:50      -63.707936         0.038312
BFGS:   11 12:37:50      -63.708016         0.035098
BFGS:   12 12:37:50      -63.708052         0.031757
BFGS:   13 12:37:50      -63.708105         0.024210
BFGS:   14 12:37:50      -63.708166         0.024435
BFGS:   15 12:37:50      -63.708204         0.015720
BFGS:   16 12:37:51      -63.708212         0.004018
BFGS:   17 12:37:51      -63.708213         0.000570
BFGS:   18 12:37:51      -63.708213         0.000461
BFGS:   19 12:37:51      -63.708213         0.000352
BFGS:   20 12:37:51      -63.708213         0.000218
BFGS:   21 12:37:51      -63.708213         0.000095
BFGS:   22 12:37:51      -63.708213         0.000022
BFGS:   23 12:37:51      -63.708213         0.000008
BFGS:   24 12:37:51      -63.708213         0.000004
BFGS:   25 12:37:51      -63.708213         0.000002
BFGS:   26 12:37:51      -63.708213         0.000000
BFGS:   27 12:37:51      -63.708213         0.000000
BFGS:   28 12:37:51      -63.708213         0.000000
BFGS:   29 12:37:51      -63.708213         0.000000
Minimization converged after 29 steps.
Maximum force component: 4.7269257674731335e-09 eV/Angstrom
Maximum stress component: 1.7591885628446623e-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([[3.067167406815618, 2.636249534164966e-18, 7.079047058864323e-39], [-1.533583703407809, 2.656244891961963, 1.5347848281739063e-38], [2.9192722262297123e-38, 1.797290358263493e-36, 12.707867952991535]])
forces =  [[-7.05707467e-31  6.98469250e-31  2.39861819e-09]
 [ 1.61304564e-30 -1.39693850e-30 -4.72692577e-09]
 [ 8.11911192e-48  4.99864365e-46  3.53432617e-09]
 [-3.80232195e-48 -2.34095215e-46 -1.65518669e-09]
 [-8.06522819e-31  6.98469250e-31  2.63265099e-09]
 [-1.28254321e-48 -7.89615480e-47 -5.58303181e-10]
 [-8.18215237e-48 -5.03745537e-46 -3.56176827e-09]
 [-7.05707467e-31  6.98469250e-31  3.40769057e-09]
 [-7.76152075e-48 -4.77848769e-46 -3.37866335e-09]
 [ 4.38208073e-48  2.69788866e-46  1.90756116e-09]]
stress =  [ 2.81839111e-12  2.81839111e-12  1.75918856e-10  2.75277943e-46
  9.55179798e-47 -9.84474332e-28]
energy per atom =  -6.370821296959245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0