element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
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.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:49:07      -58.659324         0.502139
BFGS:    1 14:49:07      -58.670472         0.468386
BFGS:    2 14:49:07      -58.675938         0.391625
BFGS:    3 14:49:08      -58.680980         0.276312
BFGS:    4 14:49:08      -58.687079         0.152112
BFGS:    5 14:49:08      -58.688793         0.053583
BFGS:    6 14:49:08      -58.688959         0.012504
BFGS:    7 14:49:08      -58.688967         0.010949
BFGS:    8 14:49:08      -58.688973         0.009471
BFGS:    9 14:49:08      -58.688983         0.004821
BFGS:   10 14:49:08      -58.688987         0.002730
BFGS:   11 14:49:08      -58.688988         0.000560
BFGS:   12 14:49:08      -58.688988         0.000030
BFGS:   13 14:49:08      -58.688988         0.000002
BFGS:   14 14:49:08      -58.688988         0.000000
BFGS:   15 14:49:08      -58.688988         0.000000
Minimization converged after 15 steps.
Maximum force component: 9.70066443839457e-10 eV/Angstrom
Maximum stress component: 1.1958437217405956e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 3.72377306e-35 9.37459201e-02]
 [0.00000000e+00 8.35458120e-37 5.93745920e-01]
 [2.61954152e-36 2.59266503e-35 9.06254080e-01]
 [0.00000000e+00 1.12690727e-36 4.06254080e-01]
 [3.33333333e-01 6.66666667e-01 6.56248791e-01]
 [6.66666667e-01 3.33333333e-01 1.56248791e-01]
 [6.66666667e-01 3.33333333e-01 3.43751209e-01]
 [3.33333333e-01 6.66666667e-01 8.43751209e-01]]
cellpar =  Cell([[2.517053231530291, 4.140766177346468e-20, 1.5307641331149646e-38], [-1.2585266157651456, 2.1798320411829457, 6.118873857025613e-38], [5.976664526812844e-37, 1.093660800677421e-36, 8.220805075042838]])
forces =  [[ 8.27335371e-32 -1.29052136e-46 -9.70066444e-10]
 [-5.97022910e-47 -5.73194759e-31 -9.70066444e-10]
 [ 5.37767991e-31  7.16493449e-32  9.70066444e-10]
 [-1.65467074e-31  8.59792139e-31  9.70066444e-10]
 [-7.44601834e-31 -4.29896069e-31  3.17750826e-10]
 [-8.27335371e-31  5.73194759e-31  3.17750826e-10]
 [ 5.79134760e-31  7.16493449e-31 -3.17750826e-10]
 [ 1.11690275e-30 -1.07474017e-30 -3.17750826e-10]]
stress =  [ 2.38018958e-11  2.38018958e-11 -1.19584372e-10 -5.13582055e-32
  1.27078602e-32 -2.18220537e-28]
energy per atom =  -7.336123500361304
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0