element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:59      -21.920694        2.2920
BFGS:    1 15:24:59      -22.113143        1.9529
BFGS:    2 15:24:59      -22.358976        1.5363
BFGS:    3 15:24:59      -22.553257        1.1761
BFGS:    4 15:24:59      -22.698573        0.8521
BFGS:    5 15:24:59      -22.798005        0.5560
BFGS:    6 15:24:59      -22.855085        0.2840
BFGS:    7 15:24:59      -22.873469        0.0549
BFGS:    8 15:24:59      -22.873695        0.0721
BFGS:    9 15:24:59      -22.873885        0.0778
BFGS:   10 15:24:59      -22.874375        0.0755
BFGS:   11 15:24:59      -22.874866        0.0520
BFGS:   12 15:24:59      -22.875151        0.0172
BFGS:   13 15:24:59      -22.875204        0.0031
BFGS:   14 15:24:59      -22.875207        0.0008
BFGS:   15 15:24:59      -22.875208        0.0003
BFGS:   16 15:24:59      -22.875208        0.0001
BFGS:   17 15:24:59      -22.875208        0.0000
BFGS:   18 15:24:59      -22.875208        0.0000
BFGS:   19 15:24:59      -22.875208        0.0000
BFGS:   20 15:24:59      -22.875208        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.8959467329437985e-09 eV/Angstrom
Maximum stress component: 1.4613445144598602e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.7304757297028344, 7.116231135907908e-18, 1.37082816004739e-37], [-1.3652378648514172, 2.364661346339507, 3.379568406991207e-36], [-4.664171467665282e-36, -1.6814290322431943e-36, 4.458848195057032]])
forces =  [[ 1.99321633e-45  3.10898148e-31 -1.89594673e-09]
 [ 3.58994259e-31  7.15896017e-46 -1.89594673e-09]
 [ 1.79497130e-31 -3.10898148e-31  1.89594673e-09]
 [-1.79497130e-31 -3.10898148e-31  1.89594673e-09]]
stress =  [ 1.46134451e-10  1.46134451e-10 -6.91987831e-11  3.11743605e-33
 -5.39955762e-33  3.83844689e-26]
energy per atom =  -5.718801885242267
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0