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_MEAM_Wagner_2007_SiC__SM_264944083668_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 16:58:29      -60.916148        67.599070
BFGS:    1 16:58:29      -75.619477        16.312847
BFGS:    2 16:58:29      -77.250924         9.438679
BFGS:    3 16:58:30      -78.379925         3.170688
BFGS:    4 16:58:30      -78.614629         0.795044
BFGS:    5 16:58:30      -78.664128         0.552738
BFGS:    6 16:58:30      -78.684324         0.574897
BFGS:    7 16:58:30      -78.719980         0.943651
BFGS:    8 16:58:30      -78.757830         0.971955
BFGS:    9 16:58:30      -78.788314         0.511049
BFGS:   10 16:58:30      -78.794406         0.088615
BFGS:   11 16:58:30      -78.794785         0.003740
BFGS:   12 16:58:30      -78.794791         0.000267
BFGS:   13 16:58:30      -78.794791         0.000004
BFGS:   14 16:58:31      -78.794791         0.000000
BFGS:   15 16:58:31      -78.794791         0.000000
Minimization converged after 15 steps.
Maximum force component: 1.37093133141993e-10 eV/Angstrom
Maximum stress component: 3.1676117355455167e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.04708853e-01 4.04708853e-01 4.04708853e-01]
 [9.52911471e-02 5.95291147e-01 9.04708853e-01]
 [5.95291147e-01 9.04708853e-01 9.52911471e-02]
 [9.04708853e-01 9.52911471e-02 5.95291147e-01]
 [5.95291147e-01 5.95291147e-01 5.95291147e-01]
 [9.04708853e-01 4.04708853e-01 9.52911471e-02]
 [4.04708853e-01 9.52911471e-02 9.04708853e-01]
 [9.52911471e-02 9.04708853e-01 4.04708853e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.77838193e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.6966231495655, -1.0243644242569568e-36, 0.0], [-5.324781970639908e-37, 4.6966231495655, 0.0], [0.0, 0.0, 4.6966231495655]])
forces =  [[-1.37093133e-10 -1.37093133e-10 -1.37093133e-10]
 [ 1.37093133e-10  1.37093133e-10 -1.37093133e-10]
 [ 1.37093133e-10 -1.37093133e-10  1.37093133e-10]
 [-1.37093133e-10  1.37093133e-10  1.37093133e-10]
 [ 1.37093133e-10  1.37093133e-10  1.37093133e-10]
 [-1.37093133e-10 -1.37093133e-10  1.37093133e-10]
 [-1.37093133e-10  1.37093133e-10 -1.37093133e-10]
 [ 1.37093133e-10 -1.37093133e-10 -1.37093133e-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 =  [3.16761174e-12 3.16761174e-12 3.16761174e-12 0.00000000e+00
 0.00000000e+00 1.25350939e-64]
energy per atom =  -6.566232569536137
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0