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 15:02:31      -60.916148       67.5991
BFGS:    1 15:02:31      -75.619477       16.3128
BFGS:    2 15:02:31      -77.250924        9.4387
BFGS:    3 15:02:31      -78.379925        3.1707
BFGS:    4 15:02:31      -78.614629        0.7950
BFGS:    5 15:02:31      -78.664128        0.5527
BFGS:    6 15:02:31      -78.684324        0.5749
BFGS:    7 15:02:31      -78.719980        0.9437
BFGS:    8 15:02:31      -78.757830        0.9720
BFGS:    9 15:02:31      -78.788314        0.5110
BFGS:   10 15:02:31      -78.794406        0.0886
BFGS:   11 15:02:31      -78.794785        0.0037
BFGS:   12 15:02:31      -78.794791        0.0003
BFGS:   13 15:02:31      -78.794791        0.0000
BFGS:   14 15:02:31      -78.794791        0.0000
BFGS:   15 15:02:31      -78.794791        0.0000
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