element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:44      -54.521263        2.0150
BFGS:    1 17:16:44      -54.568631        1.6478
BFGS:    2 17:16:44      -54.653539        0.1842
BFGS:    3 17:16:44      -54.654489        0.1699
BFGS:    4 17:16:44      -54.660138        0.0135
BFGS:    5 17:16:44      -54.660143        0.0119
BFGS:    6 17:16:45      -54.660146        0.0095
BFGS:    7 17:16:45      -54.660152        0.0039
BFGS:    8 17:16:45      -54.660154        0.0016
BFGS:    9 17:16:45      -54.660154        0.0003
BFGS:   10 17:16:45      -54.660154        0.0001
BFGS:   11 17:16:45      -54.660154        0.0000
BFGS:   12 17:16:45      -54.660154        0.0000
BFGS:   13 17:16:45      -54.660154        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.4511797326912143e-10 eV/Angstrom
Maximum stress component: 1.8037562105374604e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17307884e-01 8.17307884e-01 3.83938626e-35]
 [1.82692116e-01 1.82692116e-01 0.00000000e+00]
 [1.82692116e-01 8.17307884e-01 0.00000000e+00]
 [8.17307884e-01 1.82692116e-01 0.00000000e+00]
 [3.17307884e-01 3.17307884e-01 5.00000000e-01]
 [6.82692116e-01 6.82692116e-01 5.00000000e-01]
 [6.82692116e-01 3.17307884e-01 5.00000000e-01]
 [3.17307884e-01 6.82692116e-01 5.00000000e-01]]
cellpar =  Cell([[4.402809818994851, -1.2898965257207152e-35, 9.821122624462104e-33], [-1.1324754785809337e-35, 4.402809818994852, -1.0315612700358173e-18], [1.0847364237906118e-32, -5.910054219474422e-19, 2.5081221510417744]])
forces =  [[-3.45117973e-10 -3.45117973e-10  8.11071230e-29]
 [ 3.45117973e-10  3.45117973e-10 -8.13544429e-29]
 [ 3.45117973e-10 -3.45117973e-10  8.13254601e-29]
 [-3.45117973e-10  3.45117973e-10 -8.11071230e-29]
 [-3.45117973e-10 -3.45117973e-10  8.11071230e-29]
 [ 3.45117973e-10  3.45117973e-10 -8.11689530e-29]
 [ 3.45117973e-10 -3.45117973e-10  8.11071230e-29]
 [-3.45117973e-10  3.45117973e-10 -8.10762080e-29]]
stress =  [-1.80375621e-10 -1.80375621e-10  1.17820809e-10  5.46575954e-26
  3.12535879e-32  2.46009231e-48]
energy per atom =  -6.832519296137869
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0