element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:15      -66.369129         8.940219
BFGS:    1 16:21:15      -69.133936         5.115169
BFGS:    2 16:21:15      -70.677605         2.540675
BFGS:    3 16:21:15      -71.407705         0.954626
BFGS:    4 16:21:15      -71.577465         0.870240
BFGS:    5 16:21:15      -71.636543         0.775049
BFGS:    6 16:21:15      -71.702234         0.619634
BFGS:    7 16:21:15      -71.769106         0.592949
BFGS:    8 16:21:15      -71.836426         0.548891
BFGS:    9 16:21:15      -71.896285         0.370500
BFGS:   10 16:21:15      -71.922498         0.042348
BFGS:   11 16:21:15      -71.923329         0.014297
BFGS:   12 16:21:15      -71.923431         0.000106
BFGS:   13 16:21:15      -71.923431         0.000009
BFGS:   14 16:21:15      -71.923431         0.000000
BFGS:   15 16:21:15      -71.923431         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.0880096823484569e-10 eV/Angstrom
Maximum stress component: 2.1255492979318777e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.39654839 0.39654839 0.39654839]
 [0.10345161 0.60345161 0.89654839]
 [0.60345161 0.89654839 0.10345161]
 [0.89654839 0.10345161 0.60345161]
 [0.60345161 0.60345161 0.60345161]
 [0.89654839 0.39654839 0.10345161]
 [0.39654839 0.10345161 0.89654839]
 [0.10345161 0.89654839 0.39654839]
 [0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]]
cellpar =  Cell([[4.653445621054168, -9.791895542786379e-38, 0.0], [-2.908254395180302e-37, 4.653445621054168, 0.0], [0.0, 0.0, 4.653445621054168]])
forces =  [[ 1.08800968e-10  1.08800968e-10  1.08800968e-10]
 [-1.08800968e-10 -1.08800968e-10  1.08800968e-10]
 [-1.08800968e-10  1.08800968e-10 -1.08800968e-10]
 [ 1.08800968e-10 -1.08800968e-10 -1.08800968e-10]
 [-1.08800968e-10 -1.08800968e-10 -1.08800968e-10]
 [ 1.08800968e-10  1.08800968e-10 -1.08800968e-10]
 [ 1.08800968e-10 -1.08800968e-10  1.08800968e-10]
 [-1.08800968e-10  1.08800968e-10  1.08800968e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.12554930e-11 -2.12554930e-11 -2.12554930e-11  0.00000000e+00
  0.00000000e+00 -6.07155449e-33]
energy per atom =  -5.993619221224988
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0