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_002
==== 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 14:55:06      -48.736878         1.397382
BFGS:    1 14:55:06      -48.818259         1.320576
BFGS:    2 14:55:06      -49.002206         1.133258
BFGS:    3 14:55:06      -49.158589         0.952998
BFGS:    4 14:55:06      -49.288448         0.779588
BFGS:    5 14:55:06      -49.392797         0.612823
BFGS:    6 14:55:06      -49.472618         0.452505
BFGS:    7 14:55:07      -49.528862         0.298441
BFGS:    8 14:55:07      -49.562453         0.150443
BFGS:    9 14:55:07      -49.574289         0.008328
BFGS:   10 14:55:07      -49.574326         0.000179
BFGS:   11 14:55:07      -49.574326         0.000000
BFGS:   12 14:55:07      -49.574326         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.2247563626352244e-31 eV/Angstrom
Maximum stress component: 2.11423689026058e-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 6.63357674e-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]
 [5.44431491e-36 5.00000000e-01 7.50000000e-01]
 [7.13944453e-38 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 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 3.53790759e-33 7.50000000e-01]
 [5.00000000e-01 3.31678837e-33 2.50000000e-01]]
cellpar =  Cell([[6.967933060356351, -8.305180234915785e-34, -8.935678640887174e-33], [-3.046485566478e-33, 6.967933060356351, -4.230816750325141e-17], [6.332498394298772e-32, -4.230816750325152e-17, 6.967933060356351]])
forces =  [[ 1.10936608e-31 -2.86288020e-32  1.73829476e-49]
 [-1.01990107e-31  1.07358007e-31 -6.51860533e-49]
 [-4.87443891e-64  2.59448518e-31 -4.11539029e-32]
 [-5.01004035e-32 -2.14716015e-31 -2.86288020e-32]
 [-2.86288020e-32 -3.57860025e-33 -3.22074022e-31]
 [ 9.75168568e-32 -1.44495752e-48  2.37976917e-31]
 [ 7.15720050e-33  1.73562112e-31 -4.29432030e-32]
 [-1.56246535e-64 -3.86488827e-31 -3.57860025e-32]
 [-1.43144010e-32  1.10936608e-31 -6.73589218e-49]
 [-1.43144010e-32 -2.14716015e-32 -1.07358007e-32]
 [-2.86288020e-32  3.63451588e-33  4.58060832e-31]
 [ 1.14515208e-31  3.17238793e-48 -5.22475636e-31]]
stress =  [-2.11423689e-13 -2.11423689e-13 -2.11423689e-13  4.95103444e-29
  9.86393311e-34 -1.12929320e-49]
energy per atom =  -4.131193828681001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0