element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:04:46       14.767951        12.995278
BFGS:    1 16:04:46       12.916526        11.694806
BFGS:    2 16:04:46       11.258191        10.420696
BFGS:    3 16:04:47        9.789014         9.172663
BFGS:    4 16:04:48        8.505099         7.950498
BFGS:    5 16:04:48        7.402577         6.754082
BFGS:    6 16:04:49        6.477588         5.583399
BFGS:    7 16:04:49        5.726266         4.438545
BFGS:    8 16:04:50        5.144722         3.319739
BFGS:    9 16:04:50        4.729025         2.227324
BFGS:   10 16:04:51        4.475181         1.161777
BFGS:   11 16:04:51        4.379118         0.123700
BFGS:   12 16:04:52        4.377997         0.001865
BFGS:   13 16:04:52        4.377996         0.000003
BFGS:   14 16:04:53        4.377996         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.4800687495315167e-19 eV/Angstrom
Maximum stress component: 1.0507949998444545e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.9908211099432105, -2.3838712330054842e-33, 3.902532201873522e-33], [3.164963121472338e-33, 4.9908211099432105, 1.982483899688277e-17], [-1.950641435631041e-33, 1.982483899688277e-17, 4.9908211099432105]])
forces =  [[-2.81825994e-20 -1.12730398e-19  1.69095597e-20]
 [-2.48006875e-19 -1.35276477e-19 -5.63651989e-20]
 [ 2.25460795e-19 -3.38191193e-20  2.25460795e-20]
 [ 3.94556392e-20 -5.63651989e-21 -7.89112784e-20]
 [-9.86390980e-20 -4.36599587e-37 -1.09912138e-19]
 [-1.88823416e-19 -1.21185178e-19 -1.29639957e-19]
 [ 1.09912138e-19 -5.56719036e-20 -4.22738991e-20]
 [-7.60930185e-20 -9.58208381e-20  5.63651989e-21]
 [-1.12730398e-19 -1.12730398e-20 -1.55004297e-19]
 [-1.83186896e-19 -3.35845836e-38 -8.45477983e-21]
 [-2.04500865e-19 -1.20538744e-19 -2.05973191e-20]
 [-1.12730398e-20 -1.07093878e-19  2.13489564e-20]
 [-8.45477983e-21 -1.35276477e-19  5.63651989e-21]
 [ 4.50921591e-20 -1.57822557e-19  1.63447551e-19]
 [-3.38191193e-20 -2.25460795e-20 -1.80368636e-19]
 [-5.07286790e-20 -1.13322833e-19  5.63651989e-21]]
stress =  [-1.05079500e-11 -1.05079500e-11 -1.05079500e-11 -2.25117676e-27
  6.59804373e-34  7.70626678e-50]
energy per atom =  0.27362477787542333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0