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:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== 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 13:46:21      -60.916148        67.599070
BFGS:    1 13:46:21      -75.619477        16.312847
BFGS:    2 13:46:21      -77.250924         9.438679
BFGS:    3 13:46:21      -78.379925         3.170688
BFGS:    4 13:46:21      -78.614629         0.795044
BFGS:    5 13:46:21      -78.664128         0.552738
BFGS:    6 13:46:21      -78.684324         0.574897
BFGS:    7 13:46:21      -78.719980         0.943651
BFGS:    8 13:46:21      -78.757830         0.971955
BFGS:    9 13:46:21      -78.788314         0.511049
BFGS:   10 13:46:21      -78.794406         0.088615
BFGS:   11 13:46:21      -78.794785         0.003740
BFGS:   12 13:46:21      -78.794791         0.000267
BFGS:   13 13:46:21      -78.794791         0.000004
BFGS:   14 13:46:21      -78.794791         0.000000
BFGS:   15 13:46:21      -78.794791         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.3706663581913863e-10 eV/Angstrom
Maximum stress component: 3.1654915803165053e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.40470885 0.40470885 0.40470885]
 [0.09529115 0.59529115 0.90470885]
 [0.59529115 0.90470885 0.09529115]
 [0.90470885 0.09529115 0.59529115]
 [0.59529115 0.59529115 0.59529115]
 [0.90470885 0.40470885 0.09529115]
 [0.40470885 0.09529115 0.90470885]
 [0.09529115 0.90470885 0.40470885]
 [0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]]
cellpar =  Cell([[4.6966231495654815, 6.037279176777603e-36, 0.0], [-2.662200121571812e-37, 4.6966231495654815, 0.0], [0.0, 0.0, 4.6966231495654815]])
forces =  [[-1.37066636e-10 -1.37066636e-10 -1.37066636e-10]
 [ 1.37066636e-10  1.37066636e-10 -1.37066636e-10]
 [ 1.37066636e-10 -1.37066636e-10  1.37066636e-10]
 [-1.37066636e-10  1.37066636e-10  1.37066636e-10]
 [ 1.37066636e-10  1.37066636e-10  1.37066636e-10]
 [-1.37066636e-10 -1.37066636e-10  1.37066636e-10]
 [-1.37066636e-10  1.37066636e-10 -1.37066636e-10]
 [ 1.37066636e-10 -1.37066636e-10 -1.37066636e-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 =  [ 3.16549158e-12  3.16549158e-12  3.16549158e-12  0.00000000e+00
  0.00000000e+00 -2.38417289e-32]
energy per atom =  -6.566232569536136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0