element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:56:47      -25.640163         0.358091
BFGS:    1 11:56:47      -25.643761         0.230817
BFGS:    2 11:56:47      -25.645915         0.116997
BFGS:    3 11:56:47      -25.647015         0.091427
BFGS:    4 11:56:47      -25.647740         0.040435
BFGS:    5 11:56:47      -25.647804         0.011483
BFGS:    6 11:56:47      -25.647816         0.016045
BFGS:    7 11:56:47      -25.647835         0.020456
BFGS:    8 11:56:47      -25.647865         0.020764
BFGS:    9 11:56:47      -25.647890         0.013049
BFGS:   10 11:56:47      -25.647899         0.004752
BFGS:   11 11:56:47      -25.647900         0.000588
BFGS:   12 11:56:47      -25.647900         0.000033
BFGS:   13 11:56:47      -25.647900         0.000003
BFGS:   14 11:56:47      -25.647900         0.000000
BFGS:   15 11:56:47      -25.647900         0.000000
Minimization converged after 15 steps.
Maximum force component: 9.00609808951458e-10 eV/Angstrom
Maximum stress component: 2.994413194650173e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000008e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.0829872178801687, -9.12671675437811e-19, -1.3342026482578396e-38], [-1.5414936089400844, 2.669945250226937, 3.458398794339011e-38], [1.168259162335183e-36, -8.784390705490824e-37, 5.034497045090436]])
forces =  [[-1.01335337e-31 -1.75517952e-31 -9.00602481e-10]
 [ 2.02670674e-31 -3.51035904e-31 -9.00602481e-10]
 [ 2.08987244e-46 -1.57141982e-46  9.00609809e-10]
 [-3.04006011e-31  1.75517952e-31  9.00609809e-10]]
stress =  [-9.22977022e-12 -9.22977022e-12 -2.99441319e-11 -1.06981530e-33
 -1.85297445e-33 -2.29380381e-27]
energy per atom =  -6.411975118437835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0