element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:26:18      -43.819622        2.1739
BFGS:    1 17:26:18      -44.016033        2.0428
BFGS:    2 17:26:18      -44.307001        1.8381
BFGS:    3 17:26:18      -44.567829        1.6409
BFGS:    4 17:26:18      -44.799639        1.4511
BFGS:    5 17:26:18      -45.003521        1.2685
BFGS:    6 17:26:18      -45.180532        1.0928
BFGS:    7 17:26:18      -45.331698        0.9238
BFGS:    8 17:26:18      -45.458010        0.7614
BFGS:    9 17:26:18      -45.560434        0.6053
BFGS:   10 17:26:18      -45.639901        0.4553
BFGS:   11 17:26:18      -45.697317        0.3112
BFGS:   12 17:26:18      -45.733559        0.1729
BFGS:   13 17:26:18      -45.749478        0.0402
BFGS:   14 17:26:18      -45.750414        0.0011
BFGS:   15 17:26:18      -45.750415        0.0000
BFGS:   16 17:26:18      -45.750415        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.0144363922580572e-31 eV/Angstrom
Maximum stress component: 1.8245430500169368e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.56790489e-34 3.72346483e-33 1.51550156e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.99252934e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.8614758083325422, 9.026616768180318e-34, 2.3232438888317323e-35], [-1.3634427883481287e-34, 3.8614758083325422, 2.198055120694987e-18], [3.5915616407769016e-39, 2.1980551206949873e-18, 3.8614758083325422]])
forces =  [[ 4.75963641e-32  3.96636367e-32 -7.53609098e-32]
 [-1.68570456e-31 -8.72600008e-32 -9.81675009e-32]
 [ 7.93272735e-32  1.58654547e-32  1.26923638e-31]
 [-5.15627278e-32 -2.37981820e-32 -5.55290914e-32]
 [-2.06250911e-31 -2.37981820e-31 -1.56671365e-31]
 [-2.22116366e-31 -7.93272735e-32  1.50721820e-31]
 [ 1.54688183e-31 -9.51927282e-32 -4.73484664e-32]
 [-3.01443639e-31 -1.90385456e-31  3.01443639e-31]]
stress =  [-1.82454305e-10 -1.82454305e-10 -1.82454305e-10  1.55563305e-28
 -5.51090042e-34 -1.90899756e-52]
energy per atom =  -5.718801885242265
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0