element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:12      -44.409764         0.261914
BFGS:    1 15:02:12      -44.411603         0.226854
BFGS:    2 15:02:12      -44.416976         0.050474
BFGS:    3 15:02:12      -44.417072         0.006687
BFGS:    4 15:02:12      -44.417073         0.000132
BFGS:    5 15:02:12      -44.417073         0.000004
BFGS:    6 15:02:13      -44.417073         0.000000
BFGS:    7 15:02:13      -44.417073         0.000000
Minimization converged after 7 steps.
Maximum force component: 4.669285934052068e-10 eV/Angstrom
Maximum stress component: 2.571095039775253e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.51481485e-33 1.15893392e-32 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 3.19291003e-13]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.4561854211334686, 1.671455811884967e-18, -1.614482114609444e-22], [-1.2280927105667343, 2.127118971106564, 3.5225050094531757e-19], [-8.160395347150306e-22, 4.440868542579351e-16, 12.451198452962698]])
forces =  [[-1.71884556e-31  1.66536472e-26  4.66928593e-10]
 [ 1.92067771e-31 -1.66536588e-26 -4.66928593e-10]
 [-1.92067771e-31  1.66536588e-26  4.66928593e-10]
 [ 1.81976163e-31 -1.66536413e-26 -4.66928593e-10]
 [-1.78612294e-31  1.66536355e-26  4.66928593e-10]
 [ 1.92067771e-31 -1.66536588e-26 -4.66928593e-10]]
stress =  [ 2.57109504e-12  2.57109504e-12  1.71196233e-22 -9.17011731e-29
  1.68598111e-34  2.59170449e-29]
energy per atom =  -7.402845523106751
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0