element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:46:20      -48.736878         1.397382
BFGS:    1 15:46:20      -48.818259         1.320576
BFGS:    2 15:46:20      -49.002206         1.133258
BFGS:    3 15:46:20      -49.158589         0.952998
BFGS:    4 15:46:20      -49.288448         0.779588
BFGS:    5 15:46:20      -49.392797         0.612823
BFGS:    6 15:46:20      -49.472618         0.452505
BFGS:    7 15:46:20      -49.528862         0.298441
BFGS:    8 15:46:20      -49.562453         0.150443
BFGS:    9 15:46:20      -49.574289         0.008328
BFGS:   10 15:46:20      -49.574326         0.000179
BFGS:   11 15:46:20      -49.574326         0.000000
BFGS:   12 15:46:20      -49.574326         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.689099317235497e-30 eV/Angstrom
Maximum stress component: 2.1173063697256703e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.40749402e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [8.50128841e-37 5.00000000e-01 7.50000000e-01]
 [1.27281845e-36 2.50000000e-01 5.00000000e-01]
 [8.43071379e-37 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.42238449e-33 7.50000000e-01]
 [5.00000000e-01 3.92486624e-33 2.50000000e-01]]
cellpar =  Cell([[6.9679330603563505, -7.589390782375602e-33, -1.8993750485814836e-33], [-3.26462390785741e-33, 6.9679330603563505, -1.3812882278103028e-17], [1.197866744569408e-33, -1.3812882278103117e-17, 6.9679330603563505]])
forces =  [[-6.15519243e-31  1.43144010e-32  2.86288020e-32]
 [-4.15117629e-31  6.26255043e-33 -1.43144010e-32]
 [ 2.35963954e-32  9.87693669e-31  1.25251009e-32]
 [-1.43144010e-32 -1.68909932e-30  3.34838607e-48]
 [ 2.14716015e-32  2.86288020e-32 -1.30261049e-30]
 [-3.57860025e-33 -1.47617260e-32  1.24535289e-30]
 [-9.84115068e-33  9.44750466e-31  3.80226276e-33]
 [ 2.70109582e-64 -5.72576040e-31  1.07358007e-32]
 [ 2.14716015e-31  1.07358007e-32 -1.43144010e-32]
 [ 7.87292055e-32  1.78930012e-32  2.50502017e-32]
 [ 1.64391949e-32  2.63921768e-32  8.08763656e-31]
 [-3.57860025e-33 -1.43144010e-32 -7.72977654e-31]]
stress =  [-2.11730637e-13 -2.11730637e-13 -2.11730637e-13 -8.85005581e-30
 -8.46235549e-35 -1.98968215e-51]
energy per atom =  -4.131193828680997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0