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 17:36:21     -102.108290        1.9875
BFGS:    1 17:36:21     -102.320358        1.8665
BFGS:    2 17:36:21     -102.569997        1.7054
BFGS:    3 17:36:21     -102.792078        1.5393
BFGS:    4 17:36:21     -103.004850        1.3956
BFGS:    5 17:36:21     -103.208702        1.2533
BFGS:    6 17:36:21     -103.400558        1.1094
BFGS:    7 17:36:21     -103.576582        0.9614
BFGS:    8 17:36:21     -103.732949        0.8073
BFGS:    9 17:36:21     -103.866081        0.6457
BFGS:   10 17:36:21     -103.972150        0.4709
BFGS:   11 17:36:21     -104.046900        0.3162
BFGS:   12 17:36:21     -104.086773        0.1398
BFGS:   13 17:36:22     -104.092037        0.0209
BFGS:   14 17:36:22     -104.092115        0.0135
BFGS:   15 17:36:22     -104.092139        0.0013
BFGS:   16 17:36:22     -104.092139        0.0001
BFGS:   17 17:36:22     -104.092139        0.0000
BFGS:   18 17:36:22     -104.092139        0.0000
BFGS:   19 17:36:22     -104.092139        0.0000
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, -4.058827232979524e-37, 0.0], [-3.168910862188645e-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