element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:08:07      -88.277940         0.228586
BFGS:    1 15:08:07      -88.279486         0.211186
BFGS:    2 15:08:07      -88.289142         0.043229
BFGS:    3 15:08:07      -88.289289         0.043239
BFGS:    4 15:08:07      -88.290413         0.067822
BFGS:    5 15:08:07      -88.291285         0.092702
BFGS:    6 15:08:07      -88.295665         0.173265
BFGS:    7 15:08:07      -88.301002         0.229044
BFGS:    8 15:08:07      -88.306882         0.265455
BFGS:    9 15:08:07      -88.313177         0.288444
BFGS:   10 15:08:07      -88.319731         0.298947
BFGS:   11 15:08:07      -88.326458         0.294635
BFGS:   12 15:08:07      -88.333449         0.268909
BFGS:   13 15:08:07      -88.341052         0.204901
BFGS:   14 15:08:07      -88.348224         0.079952
BFGS:   15 15:08:07      -88.349915         0.012063
BFGS:   16 15:08:07      -88.350014         0.000653
BFGS:   17 15:08:08      -88.350014         0.000094
BFGS:   18 15:08:08      -88.350014         0.000002
BFGS:   19 15:08:08      -88.350014         0.000000
BFGS:   20 15:08:08      -88.350014         0.000000
Minimization converged after 20 steps.
Maximum force component: 9.549199823527994e-10 eV/Angstrom
Maximum stress component: 2.528354373606476e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.80485549e-31 1.48178750e-30 4.52363963e-01]
 [0.00000000e+00 1.03900403e-16 5.47636037e-01]
 [6.66666667e-01 3.33333333e-01 7.85697296e-01]
 [6.66666667e-01 3.33333333e-01 8.80969370e-01]
 [3.33333333e-01 6.66666667e-01 1.19030630e-01]
 [3.33333333e-01 6.66666667e-01 2.14302704e-01]
 [1.14897458e-17 7.40893751e-31 2.14297720e-01]
 [1.00000000e+00 0.00000000e+00 7.85702280e-01]
 [6.66666667e-01 3.33333333e-01 5.47631053e-01]
 [6.66666667e-01 3.33333333e-01 1.19035614e-01]
 [3.33333333e-01 6.66666667e-01 8.80964386e-01]
 [3.33333333e-01 6.66666667e-01 4.52368947e-01]]
cellpar =  Cell([[2.45891697778948, 1.328348496912427e-19, 2.896093182071039e-17], [-1.22945848889474, 2.1294845685625456, 1.5678930283800023e-15], [5.205530867844612e-16, 2.6870612908980904e-14, 35.12343785723227]])
forces =  [[-1.10727930e-26 -5.71648648e-25 -7.47219750e-10]
 [ 1.10732241e-26  5.71649021e-25  7.47219750e-10]
 [-1.10727930e-26 -5.71648275e-25 -7.47219750e-10]
 [ 1.10726852e-26  5.71649021e-25  7.47219750e-10]
 [-1.10727930e-26 -5.71648648e-25 -7.47219750e-10]
 [ 1.10732241e-26  5.71649021e-25  7.47219750e-10]
 [-1.41508892e-26 -7.30546601e-25 -9.54919982e-10]
 [ 1.41516974e-26  7.30546695e-25  9.54919982e-10]
 [-1.41508353e-26 -7.30546695e-25 -9.54919982e-10]
 [ 1.41503234e-26  7.30547021e-25  9.54919982e-10]
 [-1.41516974e-26 -7.30546695e-25 -9.54919982e-10]
 [ 1.41510508e-26  7.30547068e-25  9.54919982e-10]]
stress =  [ 2.52835437e-10  2.52835437e-10  1.13317365e-11 -2.12229935e-25
  1.41013972e-26  1.73648694e-28]
energy per atom =  -7.362501192962244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0