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 15:24:59      -30.722910       13.2080
BFGS:    1 15:24:59      -31.481705        0.2188
BFGS:    2 15:24:59      -31.483237        0.1848
BFGS:    3 15:24:59      -31.484087        0.1710
BFGS:    4 15:24:59      -31.487441        0.0523
BFGS:    5 15:24:59      -31.487473        0.0311
BFGS:    6 15:24:59      -31.487487        0.0027
BFGS:    7 15:24:59      -31.487487        0.0002
BFGS:    8 15:24:59      -31.487487        0.0000
BFGS:    9 15:25:00      -31.487487        0.0000
BFGS:   10 15:25:00      -31.487487        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.1524302955594017e-10 eV/Angstrom
Maximum stress component: 3.757086865050312e-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([[2.554708246515304, 1.1081458201891011e-17, -1.085850994443837e-37], [-1.277354123257652, 2.2124422407398523, -4.5419011463362444e-37], [5.67424969948878e-37, 6.702996254713774e-37, 4.195290189108968]])
forces =  [[ 3.35884910e-31 -5.81769730e-31 -1.15243030e-10]
 [-9.23683502e-31 -1.45442432e-31 -1.15243030e-10]
 [-5.03827365e-31  8.72654594e-31  1.15243030e-10]
 [-4.19856137e-31  1.45442432e-31  1.15243030e-10]]
stress =  [-2.26881105e-11 -2.26881105e-11 -3.75708687e-11 -7.08247809e-33
  3.52563228e-47  1.06239078e-26]
energy per atom =  -7.774195510431759
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0