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 15:54:28      -44.409764        0.2619
BFGS:    1 15:54:28      -44.411603        0.2269
BFGS:    2 15:54:28      -44.416976        0.0505
BFGS:    3 15:54:28      -44.417072        0.0067
BFGS:    4 15:54:28      -44.417073        0.0001
BFGS:    5 15:54:28      -44.417073        0.0000
BFGS:    6 15:54:28      -44.417073        0.0000
BFGS:    7 15:54:28      -44.417073        0.0000
Minimization converged after 7 steps.
Maximum force component: 4.669285934052064e-10 eV/Angstrom
Maximum stress component: 2.5707741883587508e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.62486752e-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 3.19117163e-13]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.456185421133468, -7.630546760132623e-20, -1.6144821148902063e-22], [-1.228092710566734, 2.1271189711065643, 3.5225050094531016e-19], [-8.16039534715044e-22, 4.440868542579351e-16, 12.451198452962698]])
forces =  [[ 3.93245469e-31  1.66533325e-26  4.66928593e-10]
 [-2.92329393e-31 -1.66533792e-26 -4.66928593e-10]
 [ 2.92329393e-31  1.66533792e-26  4.66928593e-10]
 [-9.72249797e-32 -1.66534724e-26 -4.66928593e-10]
 [ 1.10680457e-31  1.66534724e-26  4.66928593e-10]
 [-3.34377758e-31 -1.66533442e-26 -4.66928593e-10]]
stress =  [ 2.57077419e-12  2.57077419e-12  1.71240737e-22 -9.16897296e-29
  1.68577107e-34 -1.41004915e-27]
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