element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:36:20     -123.737272        9.9825
BFGS:    1 17:36:20     -127.831875        9.9094
BFGS:    2 17:36:20     -128.552596        3.8438
BFGS:    3 17:36:20     -128.990540        2.4683
BFGS:    4 17:36:20     -129.167927        2.3394
BFGS:    5 17:36:20     -129.196261        0.0995
BFGS:    6 17:36:20     -129.196550        0.0133
BFGS:    7 17:36:20     -129.196555        0.0001
BFGS:    8 17:36:21     -129.196555        0.0000
BFGS:    9 17:36:21     -129.196555        0.0000
BFGS:   10 17:36:21     -129.196555        0.0000
BFGS:   11 17:36:21     -129.196555        0.0000
BFGS:   12 17:36:21     -129.196555        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.5012129157365626e-10 eV/Angstrom
Maximum stress component: 2.7802637888288604e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15374841 0.15374841 0.15374841]
 [0.34625159 0.84625159 0.65374841]
 [0.84625159 0.65374841 0.34625159]
 [0.65374841 0.34625159 0.84625159]
 [0.65374841 0.65374841 0.65374841]
 [0.84625159 0.34625159 0.15374841]
 [0.34625159 0.15374841 0.84625159]
 [0.15374841 0.84625159 0.34625159]
 [0.84625159 0.84625159 0.84625159]
 [0.65374841 0.15374841 0.34625159]
 [0.15374841 0.34625159 0.65374841]
 [0.34625159 0.65374841 0.15374841]
 [0.34625159 0.34625159 0.34625159]
 [0.15374841 0.65374841 0.84625159]
 [0.65374841 0.84625159 0.15374841]
 [0.84625159 0.15374841 0.65374841]]
cellpar =  Cell([[4.517586048044652, 1.3681091375763353e-36, 0.0], [-1.2560339773351757e-35, 4.517586048044652, 0.0], [0.0, 0.0, 4.517586048044652]])
forces =  [[-4.50121292e-10 -4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10  4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10 -4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10  4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10 -4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10  4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10 -4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10  4.50121292e-10  4.50121292e-10]
 [ 4.50121292e-10  4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10 -4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10  4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10 -4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10  4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10 -4.50121292e-10  4.50121292e-10]
 [-4.50121292e-10  4.50121292e-10 -4.50121292e-10]
 [ 4.50121292e-10 -4.50121292e-10 -4.50121292e-10]]
stress =  [-2.78026379e-10 -2.78026379e-10 -2.78026379e-10  0.00000000e+00
  0.00000000e+00  1.28844627e-32]
energy per atom =  -7.900038476978214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0