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_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_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      -30.722910        13.207990
BFGS:    1 14:31:36      -31.481705         0.218834
BFGS:    2 14:31:36      -31.483237         0.184787
BFGS:    3 14:31:36      -31.484087         0.170964
BFGS:    4 14:31:37      -31.487441         0.052307
BFGS:    5 14:31:37      -31.487473         0.031083
BFGS:    6 14:31:37      -31.487487         0.002729
BFGS:    7 14:31:37      -31.487487         0.000240
BFGS:    8 14:31:37      -31.487487         0.000003
BFGS:    9 14:31:37      -31.487487         0.000000
BFGS:   10 14:31:37      -31.487487         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.1522335678479869e-10 eV/Angstrom
Maximum stress component: 3.759130494227076e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06309344]
 [0.66666666 0.33333334 0.56309344]
 [0.66666666 0.33333334 0.93690656]
 [0.33333333 0.66666667 0.43690656]]
cellpar =  Cell([[2.554708246515305, 1.1104177685386962e-17, -5.822021410241105e-39], [-1.2773541232576524, 2.212442240739852, -1.33160334031669e-38], [-1.1704667917406776e-37, 5.795625479128635e-37, 4.1952901891089684]])
forces =  [[ 5.03827365e-31 -2.90884865e-31 -1.15223357e-10]
 [-1.13361157e-30  7.99933378e-31 -1.15223357e-10]
 [-1.17559718e-30  2.90884865e-31  1.15223357e-10]
 [ 1.13361157e-30 -7.99933378e-31  1.15223357e-10]]
stress =  [-2.27100617e-11 -2.27100617e-11 -3.75913049e-11 -1.68208855e-32
 -4.60020446e-33 -1.26691583e-27]
energy per atom =  -7.77419551043176
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0