element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:34:19     -102.108290         1.987487
BFGS:    1 15:34:19     -102.320358         1.866501
BFGS:    2 15:34:19     -102.569997         1.705416
BFGS:    3 15:34:19     -102.792078         1.539328
BFGS:    4 15:34:19     -103.004850         1.395588
BFGS:    5 15:34:19     -103.208702         1.253348
BFGS:    6 15:34:19     -103.400558         1.109411
BFGS:    7 15:34:19     -103.576582         0.961366
BFGS:    8 15:34:19     -103.732949         0.807305
BFGS:    9 15:34:19     -103.866081         0.645733
BFGS:   10 15:34:19     -103.972150         0.470851
BFGS:   11 15:34:19     -104.046900         0.316194
BFGS:   12 15:34:19     -104.086773         0.139821
BFGS:   13 15:34:19     -104.092037         0.020883
BFGS:   14 15:34:19     -104.092115         0.013454
BFGS:   15 15:34:19     -104.092139         0.001317
BFGS:   16 15:34:20     -104.092139         0.000081
BFGS:   17 15:34:20     -104.092139         0.000002
BFGS:   18 15:34:20     -104.092139         0.000000
BFGS:   19 15:34:20     -104.092139         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.1109877647339582e-10 eV/Angstrom
Maximum stress component: 8.26577367495477e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15604409 0.15604409 0.15604409]
 [0.34395591 0.84395591 0.65604409]
 [0.84395591 0.65604409 0.34395591]
 [0.65604409 0.34395591 0.84395591]
 [0.65604409 0.65604409 0.65604409]
 [0.84395591 0.34395591 0.15604409]
 [0.34395591 0.15604409 0.84395591]
 [0.15604409 0.84395591 0.34395591]
 [0.84395591 0.84395591 0.84395591]
 [0.65604409 0.15604409 0.34395591]
 [0.15604409 0.34395591 0.65604409]
 [0.34395591 0.65604409 0.15604409]
 [0.34395591 0.34395591 0.34395591]
 [0.15604409 0.65604409 0.84395591]
 [0.65604409 0.84395591 0.15604409]
 [0.84395591 0.15604409 0.65604409]]
cellpar =  Cell([[4.309247953852948, -4.512572590657167e-37, 0.0], [-8.216961060906923e-37, 4.309247953852948, 0.0], [0.0, 0.0, 4.309247953852948]])
forces =  [[ 2.11098776e-10  2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10 -2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10  2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10 -2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10  2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10 -2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10  2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10 -2.11098776e-10 -2.11098776e-10]
 [-2.11098776e-10 -2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10  2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10 -2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10  2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10 -2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10  2.11098776e-10 -2.11098776e-10]
 [ 2.11098776e-10 -2.11098776e-10  2.11098776e-10]
 [-2.11098776e-10  2.11098776e-10  2.11098776e-10]]
stress =  [-8.26577367e-12 -8.26577367e-12 -8.26577367e-12  0.00000000e+00
  0.00000000e+00  1.77005281e-33]
energy per atom =  -6.5057586748835465
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0