element(s):
['C', 'H']
AFLOW prototype label:
AB_cI16_199_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3206', '0.088952473', '0.44338402']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'H']
representative atom coordinates =  [[0.08895247 0.08895247 0.08895247]
 [0.44338402 0.44338402 0.44338402]]
spacegroup =  199
cell =  [[4.3206, 0, 0], [0, 4.3206, 0], [0, 0, 4.3206]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:14:40      -75.521569         0.870713
BFGS:    1 11:14:40      -75.575551         0.169490
BFGS:    2 11:14:40      -75.581023         0.169595
BFGS:    3 11:14:40      -75.596410         0.161895
BFGS:    4 11:14:40      -75.598123         0.166060
BFGS:    5 11:14:41      -75.604183         0.166717
BFGS:    6 11:14:41      -75.612573         0.214063
BFGS:    7 11:14:41      -75.624226         0.240063
BFGS:    8 11:14:41      -75.633732         0.186942
BFGS:    9 11:14:41      -75.637487         0.053161
BFGS:   10 11:14:41      -75.637715         0.001814
BFGS:   11 11:14:41      -75.637719         0.000731
BFGS:   12 11:14:41      -75.637719         0.000338
BFGS:   13 11:14:41      -75.637719         0.000026
BFGS:   14 11:14:41      -75.637719         0.000001
BFGS:   15 11:14:41      -75.637719         0.000000
BFGS:   16 11:14:41      -75.637719         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1499979948479757e-10 eV/Angstrom
Maximum stress component: 1.6108677110512615e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H']
basis =  [[0.08474577 0.08474577 0.08474577]
 [0.41525423 0.91525423 0.58474577]
 [0.91525423 0.58474577 0.41525423]
 [0.58474577 0.41525423 0.91525423]
 [0.58474577 0.58474577 0.58474577]
 [0.91525423 0.41525423 0.08474577]
 [0.41525423 0.08474577 0.91525423]
 [0.08474577 0.91525423 0.41525423]
 [0.43976097 0.43976097 0.43976097]
 [0.06023903 0.56023903 0.93976097]
 [0.56023903 0.93976097 0.06023903]
 [0.93976097 0.06023903 0.56023903]
 [0.93976097 0.93976097 0.93976097]
 [0.56023903 0.06023903 0.43976097]
 [0.06023903 0.43976097 0.56023903]
 [0.43976097 0.56023903 0.06023903]]
cellpar =  Cell([4.271124479201064, 4.271124479201062, 4.271124479201064])
forces =  [[ 1.19372062e-10  1.19372062e-10  1.19372062e-10]
 [-1.19372062e-10 -1.19372062e-10  1.19372062e-10]
 [-1.19372062e-10  1.19372062e-10 -1.19372062e-10]
 [ 1.19372062e-10 -1.19372062e-10 -1.19372062e-10]
 [ 1.19372062e-10  1.19372062e-10  1.19372062e-10]
 [-1.19372062e-10 -1.19372062e-10  1.19372062e-10]
 [-1.19372062e-10  1.19372062e-10 -1.19372062e-10]
 [ 1.19372062e-10 -1.19372062e-10 -1.19372062e-10]
 [-3.14999799e-10 -3.14999799e-10 -3.14999799e-10]
 [ 3.14999799e-10  3.14999799e-10 -3.14999799e-10]
 [ 3.14999799e-10 -3.14999799e-10  3.14999799e-10]
 [-3.14999799e-10  3.14999799e-10  3.14999799e-10]
 [-3.14999799e-10 -3.14999799e-10 -3.14999799e-10]
 [ 3.14999799e-10  3.14999799e-10 -3.14999799e-10]
 [ 3.14999799e-10 -3.14999799e-10  3.14999799e-10]
 [-3.14999799e-10  3.14999799e-10  3.14999799e-10]]
stress =  [-1.61086771e-12 -1.61086771e-12 -1.61086771e-12  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.727357428663578
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0