element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:31:36      -32.256391        13.844647
BFGS:    1 14:31:36      -34.122042         2.280026
BFGS:    2 14:31:36      -34.126015         1.048254
BFGS:    3 14:31:36      -34.132188         0.721272
BFGS:    4 14:31:36      -34.133643         0.945282
BFGS:    5 14:31:36      -34.136079         0.265880
BFGS:    6 14:31:36      -34.136772         0.150079
BFGS:    7 14:31:36      -34.138243         0.253005
BFGS:    8 14:31:36      -34.138634         0.150051
BFGS:    9 14:31:36      -34.138785         0.015846
BFGS:   10 14:31:36      -34.138787         0.001258
BFGS:   11 14:31:36      -34.138787         0.000025
BFGS:   12 14:31:37      -34.138787         0.000003
BFGS:   13 14:31:37      -34.138787         0.000000
BFGS:   14 14:31:37      -34.138787         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.747381403317296e-10 eV/Angstrom
Maximum stress component: 1.1377002454676101e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06306002]
 [0.66666666 0.33333334 0.56306002]
 [0.66666666 0.33333334 0.93693998]
 [0.33333333 0.66666667 0.43693998]]
cellpar =  Cell([[2.557410100430862, 9.79619967955398e-18, -4.220829970922238e-37], [-1.278705050215431, 2.214782114868039, -8.176513870013548e-37], [5.572880552397523e-36, 3.548026746849082e-36, 4.198131953778901]])
forces =  [[-8.40600353e-31  5.82385008e-31  1.74738140e-10]
 [ 1.68120071e-31 -2.91192504e-31  1.74738140e-10]
 [ 4.20300176e-31 -1.46068954e-46 -1.74738140e-10]
 [ 3.36240141e-31 -1.46390947e-46 -1.74738140e-10]]
stress =  [ 1.13770025e-10  1.13770025e-10  7.07702922e-11 -4.19793507e-33
 -7.27103683e-33  3.92079251e-26]
energy per atom =  -8.426460673280223
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0