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 16:00:37      -88.819291        0.2642
BFGS:    1 16:00:37      -88.821229        0.2465
BFGS:    2 16:00:37      -88.834120        0.0106
BFGS:    3 16:00:37      -88.834146        0.0001
BFGS:    4 16:00:37      -88.834146        0.0000
BFGS:    5 16:00:37      -88.834146        0.0000
Minimization converged after 5 steps.
Maximum force component: 3.729794931127403e-12 eV/Angstrom
Maximum stress component: 1.829606322014794e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.83339447e-31 5.63255018e-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 2.73551337e-31 2.20298478e-01]
 [1.00000000e+00 9.75478429e-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([[2.4561854211322736, -2.69939038880799e-19, 8.764495485316918e-37], [-1.2280927105661368, 2.1271189711055283, -7.3397858824571785e-34], [1.2933638454119682e-35, -2.686813917501184e-30, 36.41689860841273]])
forces =  [[-8.07328606e-32  2.33055694e-31 -3.72979493e-12]
 [ 1.34554768e-31 -4.66111388e-32  3.72979493e-12]
 [ 1.05961880e-31  4.66111388e-32 -3.72979493e-12]
 [ 2.15287628e-31 -2.75181747e-43  3.72979493e-12]
 [ 1.07643814e-31  1.86444555e-31 -3.72979493e-12]
 [ 2.15287628e-31  4.66111388e-32  3.72979493e-12]
 [ 8.07328606e-32 -1.86444555e-31 -3.72979493e-12]
 [-1.54737983e-31 -1.16527847e-32  3.72979493e-12]
 [ 1.61465721e-31 -1.86444555e-31 -3.72979493e-12]
 [-1.88376675e-31  1.39833416e-31  3.72979493e-12]
 [ 5.38219071e-32 -9.32222776e-32 -3.72979493e-12]
 [-1.07643814e-31 -2.75181712e-43  3.72979493e-12]]
stress =  [ 1.82960632e-14  1.82960632e-14  7.23671511e-27  1.34987105e-45
 -6.49800398e-51 -4.21051210e-31]
energy per atom =  -7.402845523106748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0