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 16:00:37      -88.277940        0.2286
BFGS:    1 16:00:37      -88.279486        0.2112
BFGS:    2 16:00:37      -88.289142        0.0432
BFGS:    3 16:00:37      -88.289289        0.0432
BFGS:    4 16:00:37      -88.290413        0.0678
BFGS:    5 16:00:37      -88.291285        0.0927
BFGS:    6 16:00:37      -88.295665        0.1733
BFGS:    7 16:00:37      -88.301002        0.2290
BFGS:    8 16:00:37      -88.306882        0.2655
BFGS:    9 16:00:37      -88.313177        0.2884
BFGS:   10 16:00:37      -88.319731        0.2989
BFGS:   11 16:00:37      -88.326458        0.2946
BFGS:   12 16:00:37      -88.333449        0.2689
BFGS:   13 16:00:37      -88.341052        0.2049
BFGS:   14 16:00:37      -88.348224        0.0800
BFGS:   15 16:00:37      -88.349915        0.0121
BFGS:   16 16:00:37      -88.350014        0.0007
BFGS:   17 16:00:37      -88.350014        0.0001
BFGS:   18 16:00:37      -88.350014        0.0000
BFGS:   19 16:00:37      -88.350014        0.0000
BFGS:   20 16:00:37      -88.350014        0.0000
Minimization converged after 20 steps.
Maximum force component: 9.549335236042533e-10 eV/Angstrom
Maximum stress component: 2.5283538407071484e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.83218335e-30 3.70446876e-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 1.85223438e-30 2.14297720e-01]
 [1.00000000e+00 1.03725125e-29 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([[2.4589169777894786, 4.81963986456104e-18, 2.896093860905574e-17], [-1.2294584888947393, 2.1294845685625465, 1.5678933958627652e-15], [5.205532087985816e-16, 2.6870619206915346e-14, 35.123437857230535]])
forces =  [[-1.10757906e-26 -5.71657635e-25 -7.47232785e-10]
 [ 1.10744975e-26  5.71658475e-25  7.47232785e-10]
 [-1.10747669e-26 -5.71658288e-25 -7.47232785e-10]
 [ 1.10748208e-26  5.71657821e-25  7.47232785e-10]
 [-1.10756829e-26 -5.71657728e-25 -7.47232785e-10]
 [ 1.10743695e-26  5.71658545e-25  7.47232785e-10]
 [-1.41533023e-26 -7.30556479e-25 -9.54933524e-10]
 [ 1.41527635e-26  7.30556479e-25  9.54933524e-10]
 [-1.41532350e-26 -7.30556502e-25 -9.54933524e-10]
 [ 1.41527635e-26  7.30556479e-25  9.54933524e-10]
 [-1.41530329e-26 -7.30556385e-25 -9.54933524e-10]
 [ 1.41527635e-26  7.30556479e-25  9.54933524e-10]]
stress =  [ 2.52835384e-10  2.52835384e-10  1.13317653e-11 -2.12229991e-25
  1.41014466e-26  2.56243043e-26]
energy per atom =  -7.362501192962245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0