element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:31      -93.829126         5.605452
BFGS:    1 15:55:31      -95.514015         1.861676
BFGS:    2 15:55:31      -95.718541         1.019477
BFGS:    3 15:55:31      -95.768700         0.964515
BFGS:    4 15:55:31      -95.901838         0.805833
BFGS:    5 15:55:31      -96.011603         0.652406
BFGS:    6 15:55:31      -96.098667         0.504097
BFGS:    7 15:55:31      -96.163773         0.360760
BFGS:    8 15:55:31      -96.207655         0.222253
BFGS:    9 15:55:31      -96.231022         0.088437
BFGS:   10 15:55:31      -96.235542         0.002501
BFGS:   11 15:55:31      -96.235546         0.000199
BFGS:   12 15:55:31      -96.235546         0.000041
BFGS:   13 15:55:31      -96.235546         0.000001
BFGS:   14 15:55:31      -96.235546         0.000000
BFGS:   15 15:55:31      -96.235546         0.000000
Minimization converged after 15 steps.
Maximum force component: 5.285249454365349e-10 eV/Angstrom
Maximum stress component: 2.260565733728154e-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 =  [[0.16723214 0.16723214 0.16723214]
 [0.83276786 0.83276786 0.16723214]
 [0.83276786 0.16723214 0.83276786]
 [0.16723214 0.83276786 0.83276786]
 [0.16723214 0.16723214 0.83276786]
 [0.83276786 0.83276786 0.83276786]
 [0.16723214 0.83276786 0.16723214]
 [0.83276786 0.16723214 0.16723214]
 [0.66723214 0.66723214 0.66723214]
 [0.33276786 0.33276786 0.66723214]
 [0.33276786 0.66723214 0.33276786]
 [0.66723214 0.33276786 0.33276786]
 [0.66723214 0.66723214 0.33276786]
 [0.33276786 0.33276786 0.33276786]
 [0.66723214 0.33276786 0.66723214]
 [0.33276786 0.66723214 0.66723214]]
cellpar =  Cell([[4.991477108685525, 5.46743476362266e-32, -2.018074122275048e-33], [3.859684472081938e-32, 4.991477108685525, 4.315072766572344e-18], [-2.486916572469742e-32, 4.31507276657236e-18, 4.991477108685525]])
forces =  [[-5.28524945e-10 -5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10  5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10 -5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10  5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10 -5.28524945e-10  5.28524945e-10]
 [ 5.28524945e-10  5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10  5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10 -5.28524945e-10 -5.28524945e-10]
 [-5.28524945e-10 -5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10  5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10 -5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10  5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10 -5.28524945e-10  5.28524945e-10]
 [ 5.28524945e-10  5.28524945e-10  5.28524945e-10]
 [-5.28524945e-10  5.28524945e-10 -5.28524945e-10]
 [ 5.28524945e-10 -5.28524945e-10 -5.28524945e-10]]
stress =  [2.26056573e-11 2.26056573e-11 2.26056573e-11 1.78507473e-27
 5.27704765e-33 7.36561179e-50]
energy per atom =  -6.014721595998324
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0