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_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 16:08:56      -88.819291         0.264198
BFGS:    1 16:08:57      -88.821229         0.246535
BFGS:    2 16:08:57      -88.834120         0.010570
BFGS:    3 16:08:57      -88.834146         0.000099
BFGS:    4 16:08:57      -88.834146         0.000000
BFGS:    5 16:08:57      -88.834146         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.8167365379135885e-12 eV/Angstrom
Maximum stress component: 1.8348142207937596e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.88817647e-31 5.69075606e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.71154624e-31 2.20298478e-01]
 [1.00000000e+00 9.85407668e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.456185421132274, -1.7026574277533983e-19, 8.764321872074961e-37], [-1.228092710566137, 2.1271189711055283, -7.339785937123097e-34], [1.252673734101658e-35, -2.6868139964929385e-30, 36.41689860841273]])
forces =  [[ 4.03664303e-31 -1.39833416e-31 -3.81673654e-12]
 [-2.01832152e-31  1.86444555e-31  3.81673654e-12]
 [ 1.07643814e-31  2.81596217e-43 -3.81673654e-12]
 [-2.15287628e-31  1.86444555e-31  3.81673654e-12]
 [ 1.07643814e-31  2.81596217e-43 -3.81673654e-12]
 [-8.07328606e-32  2.33055694e-31  3.81673654e-12]
 [ 5.38219071e-32  9.32222776e-32 -3.81673654e-12]
 [ 2.55654059e-31 -1.86444555e-31  3.81673654e-12]
 [ 2.73314372e-32  3.49583541e-32 -3.81673654e-12]
 [ 1.88376675e-31 -1.39833416e-31  3.81673654e-12]
 [ 5.38219071e-32  2.81596221e-43 -3.81673654e-12]
 [ 3.76753350e-31 -1.86444555e-31  3.81673654e-12]]
stress =  [1.83481422e-14 1.83481422e-14 7.93512499e-27 1.38587325e-45
 5.56961015e-47 1.62682701e-30]
energy per atom =  -7.402845523106749
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0