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 15:24:58      -32.256391       13.8446
BFGS:    1 15:24:58      -34.122042        2.2800
BFGS:    2 15:24:58      -34.126015        1.0483
BFGS:    3 15:24:58      -34.132188        0.7213
BFGS:    4 15:24:58      -34.133643        0.9453
BFGS:    5 15:24:58      -34.136079        0.2659
BFGS:    6 15:24:59      -34.136772        0.1501
BFGS:    7 15:24:59      -34.138243        0.2530
BFGS:    8 15:24:59      -34.138634        0.1501
BFGS:    9 15:24:59      -34.138785        0.0158
BFGS:   10 15:24:59      -34.138787        0.0013
BFGS:   11 15:24:59      -34.138787        0.0000
BFGS:   12 15:24:59      -34.138787        0.0000
BFGS:   13 15:24:59      -34.138787        0.0000
BFGS:   14 15:24:59      -34.138787        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.7471947466926076e-10 eV/Angstrom
Maximum stress component: 1.1375448191459554e-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, 8.290039498009762e-18, 9.717736536092135e-37], [-1.278705050215431, 2.214782114868039, 5.189654041159021e-37], [-8.391484867904323e-37, 4.4766401953463815e-37, 4.198131953778901]])
forces =  [[ 8.40600353e-32 -1.45596252e-31  1.74719475e-10]
 [-5.88420247e-31 -2.91192504e-31  1.74719475e-10]
 [ 3.36240141e-31 -7.27981260e-31 -1.74719475e-10]
 [ 5.88420247e-31 -2.91192504e-31 -1.74719475e-10]]
stress =  [ 1.13754482e-10  1.13754482e-10  7.07522838e-11 -3.53510322e-33
 -6.12297839e-33  5.34915776e-26]
energy per atom =  -8.426460673280216
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0