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 14:40:44      -75.521569        0.8707
BFGS:    1 14:40:44      -75.575551        0.1695
BFGS:    2 14:40:44      -75.581023        0.1696
BFGS:    3 14:40:44      -75.596410        0.1619
BFGS:    4 14:40:44      -75.598123        0.1661
BFGS:    5 14:40:44      -75.604183        0.1667
BFGS:    6 14:40:45      -75.612573        0.2141
BFGS:    7 14:40:45      -75.624226        0.2401
BFGS:    8 14:40:45      -75.633732        0.1869
BFGS:    9 14:40:45      -75.637487        0.0532
BFGS:   10 14:40:45      -75.637715        0.0018
BFGS:   11 14:40:45      -75.637719        0.0007
BFGS:   12 14:40:45      -75.637719        0.0003
BFGS:   13 14:40:45      -75.637719        0.0000
BFGS:   14 14:40:45      -75.637719        0.0000
BFGS:   15 14:40:45      -75.637719        0.0000
BFGS:   16 14:40:45      -75.637719        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.149835418508454e-10 eV/Angstrom
Maximum stress component: 1.6088812562020926e-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([4.271124479201065, 4.271124479201063, 4.271124479201065])
forces =  [[ 1.19354397e-10  1.19354397e-10  1.19354397e-10]
 [-1.19354397e-10 -1.19354397e-10  1.19354397e-10]
 [-1.19354397e-10  1.19354397e-10 -1.19354397e-10]
 [ 1.19354397e-10 -1.19354397e-10 -1.19354397e-10]
 [ 1.19354397e-10  1.19354397e-10  1.19354397e-10]
 [-1.19354397e-10 -1.19354397e-10  1.19354397e-10]
 [-1.19354397e-10  1.19354397e-10 -1.19354397e-10]
 [ 1.19354397e-10 -1.19354397e-10 -1.19354397e-10]
 [-3.14983542e-10 -3.14983542e-10 -3.14983542e-10]
 [ 3.14983542e-10  3.14983542e-10 -3.14983542e-10]
 [ 3.14983542e-10 -3.14983542e-10  3.14983542e-10]
 [-3.14983542e-10  3.14983542e-10  3.14983542e-10]
 [-3.14983542e-10 -3.14983542e-10 -3.14983542e-10]
 [ 3.14983542e-10  3.14983542e-10 -3.14983542e-10]
 [ 3.14983542e-10 -3.14983542e-10  3.14983542e-10]
 [-3.14983542e-10  3.14983542e-10  3.14983542e-10]]
stress =  [-1.60888126e-12 -1.60888126e-12 -1.60888126e-12  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.727357428663581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0