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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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 15:24:07      -43.798232         2.194662
BFGS:    1 15:24:07      -43.998321         2.060508
BFGS:    2 15:24:07      -44.291750         1.853234
BFGS:    3 15:24:07      -44.554688         1.653911
BFGS:    4 15:24:07      -44.788307         1.462261
BFGS:    5 15:24:07      -44.993737         1.278022
BFGS:    6 15:24:07      -45.172071         1.100942
BFGS:    7 15:24:07      -45.324366         0.930780
BFGS:    8 15:24:07      -45.451640         0.767305
BFGS:    9 15:24:07      -45.554880         0.610296
BFGS:   10 15:24:07      -45.635041         0.459538
BFGS:   11 15:24:07      -45.693044         0.314826
BFGS:   12 15:24:07      -45.729781         0.175964
BFGS:   13 15:24:07      -45.746116         0.042759
BFGS:   14 15:24:07      -45.747171         0.001169
BFGS:   15 15:24:07      -45.747172         0.000008
BFGS:   16 15:24:07      -45.747172         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.588420198427842e-31 eV/Angstrom
Maximum stress component: 2.3229310765121476e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.27207304e-33]
 [3.10243464e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.99473600e-33]
 [5.00000000e-01 0.00000000e+00 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([[3.8620247312830402, 3.04157053284151e-34, -6.011809652396463e-33], [3.536473704403588e-33, 3.8620247312830402, -2.0363668649652164e-17], [6.393610297117124e-33, -2.036366864965216e-17, 3.8620247312830402]])
forces =  [[ 1.90412520e-31 -6.34708401e-32  2.38015650e-32]
 [-1.78511738e-31 -3.17354201e-32 -2.28098332e-31]
 [-2.58842020e-31  1.58677100e-32  9.32227964e-32]
 [ 1.11073970e-31 -3.17354201e-32  1.70577883e-31]
 [ 1.58677100e-32 -7.93385501e-32  6.34708401e-32]
 [ 4.31059783e-64  4.76031301e-32  2.34048723e-31]
 [-6.19832423e-32  3.42147497e-32  9.81814558e-32]
 [-1.11073970e-31  1.26941680e-31 -2.02313303e-31]]
stress =  [-2.32293108e-10 -2.32293108e-10 -2.32293108e-10 -9.58537347e-28
  4.74829120e-59  3.12624428e-60]
energy per atom =  -5.718396512969075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0