element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:57     -133.532532        1.2866
BFGS:    1 14:18:57     -133.662543        0.5584
BFGS:    2 14:18:57     -133.688329        0.3627
BFGS:    3 14:18:57     -133.697727        0.3425
BFGS:    4 14:18:57     -133.716234        0.2821
BFGS:    5 14:18:57     -133.735309        0.2646
BFGS:    6 14:18:57     -133.757875        0.2282
BFGS:    7 14:18:57     -133.771989        0.1538
BFGS:    8 14:18:58     -133.775500        0.0485
BFGS:    9 14:18:58     -133.775846        0.0053
BFGS:   10 14:18:58     -133.775856        0.0013
BFGS:   11 14:18:58     -133.775857        0.0002
BFGS:   12 14:18:58     -133.775857        0.0000
BFGS:   13 14:18:58     -133.775857        0.0000
BFGS:   14 14:18:58     -133.775857        0.0000
BFGS:   15 14:18:58     -133.775857        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.2256524316390623e-09 eV/Angstrom
Maximum stress component: 8.444943378128669e-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', 'C', 'C', 'C', 'C']
basis =  [[0.2605991  0.2605991  0.2605991 ]
 [0.7394009  0.7394009  0.2605991 ]
 [0.7394009  0.2605991  0.7394009 ]
 [0.2605991  0.7394009  0.7394009 ]
 [0.2605991  0.2605991  0.7394009 ]
 [0.7394009  0.7394009  0.7394009 ]
 [0.2605991  0.7394009  0.2605991 ]
 [0.7394009  0.2605991  0.2605991 ]
 [0.5        0.15307586 0.15307586]
 [0.5        0.84692414 0.15307586]
 [0.5        0.15307586 0.84692414]
 [0.5        0.84692414 0.84692414]
 [0.15307586 0.5        0.15307586]
 [0.15307586 0.5        0.84692414]
 [0.84692414 0.5        0.15307586]
 [0.84692414 0.5        0.84692414]
 [0.15307586 0.15307586 0.5       ]
 [0.84692414 0.15307586 0.5       ]
 [0.15307586 0.84692414 0.5       ]
 [0.84692414 0.84692414 0.5       ]]
cellpar =  Cell([[5.259577805023653, 5.818533245032687e-33, -7.10333157520151e-33], [1.5724294794356567e-32, 5.259577805023653, 9.079664868640325e-19], [2.895370625875324e-32, 9.07966486864004e-19, 5.259577805023653]])
forces =  [[ 3.19199512e-10  3.19199512e-10  3.19199512e-10]
 [-3.19199512e-10 -3.19199512e-10  3.19199512e-10]
 [-3.19199512e-10  3.19199512e-10 -3.19199512e-10]
 [ 3.19199512e-10 -3.19199512e-10 -3.19199512e-10]
 [ 3.19199512e-10  3.19199512e-10 -3.19199512e-10]
 [-3.19199512e-10 -3.19199512e-10 -3.19199512e-10]
 [ 3.19199512e-10 -3.19199512e-10  3.19199512e-10]
 [-3.19199512e-10  3.19199512e-10  3.19199512e-10]
 [-7.34732086e-31  3.22565243e-09  3.22565243e-09]
 [-6.48293017e-31 -3.22565243e-09  3.22565243e-09]
 [ 6.91512551e-31  3.22565243e-09 -3.22565243e-09]
 [ 6.59097901e-31 -3.22565243e-09 -3.22565243e-09]
 [ 3.22565243e-09  5.56329161e-28  3.22565243e-09]
 [ 3.22565243e-09 -5.57604137e-28 -3.22565243e-09]
 [-3.22565243e-09  5.57625747e-28  3.22565243e-09]
 [-3.22565243e-09 -5.56329161e-28 -3.22565243e-09]
 [ 3.22565243e-09  3.22565243e-09  5.56761356e-28]
 [-3.22565243e-09  3.22565243e-09  5.55637649e-28]
 [ 3.22565243e-09 -3.22565243e-09 -5.56415600e-28]
 [-3.22565243e-09 -3.22565243e-09 -5.56674917e-28]]
stress =  [ 8.44494338e-11  8.44494338e-11  8.44494338e-11  2.06594977e-28
 -2.37638838e-33 -1.83118706e-49]
energy per atom =  -6.688792832767301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0