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_AnGoddard_2015_BC__SM_389039364091_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 15:41:18      -33.156553         9.075432
BFGS:    1 15:41:18      -34.463753         9.125384
BFGS:    2 15:41:18      -34.504035         2.234741
BFGS:    3 15:41:18      -34.579209         2.242899
BFGS:    4 15:41:18      -34.574350         8.858360
BFGS:    5 15:41:18      -34.573178         1.990944
BFGS:    6 15:41:19      -34.613219         2.161126
BFGS:    7 15:41:19      -34.118893         8.847489
BFGS:    8 15:41:19      -34.682066         3.122046
BFGS:    9 15:41:19      -34.765023         0.966314
BFGS:   10 15:41:19      -34.753916         3.195610
BFGS:   11 15:41:19      -34.766763         0.301669
BFGS:   12 15:41:19      -34.767118         0.156876
BFGS:   13 15:41:19      -34.768594         0.452541
BFGS:   14 15:41:19      -34.769184         0.311533
BFGS:   15 15:41:19      -34.769411         0.076511
BFGS:   16 15:41:20      -34.769429         0.070434
BFGS:   17 15:41:20      -34.769451         0.091678
BFGS:   18 15:41:20      -34.769461         0.110237
BFGS:   19 15:41:20      -34.769506         0.144110
BFGS:   20 15:41:20      -34.769545         0.123530
BFGS:   21 15:41:20      -34.769570         0.052910
BFGS:   22 15:41:20      -34.769575         0.008483
BFGS:   23 15:41:20      -34.769575         0.000367
BFGS:   24 15:41:20      -34.769575         0.000067
BFGS:   25 15:41:20      -34.769575         0.000003
BFGS:   26 15:41:20      -34.769575         0.000000
BFGS:   27 15:41:20      -34.769575         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.934065336087405e-10 eV/Angstrom
Maximum stress component: 1.1291389589260714e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06329546]
 [0.66666666 0.33333334 0.56329546]
 [0.66666666 0.33333334 0.93670454]
 [0.33333333 0.66666667 0.43670454]]
cellpar =  Cell([[2.5627872956273796, 1.692846687251799e-18, -4.3400067605704854e-35], [-1.2813936478136898, 2.2194389025093306, 8.713910073231936e-36], [-8.100929815162829e-35, -1.654475626420623e-34, 4.217129052247465]])
forces =  [[ 4.21183897e-32  5.10658336e-31  1.93406534e-10]
 [ 5.92289855e-31  1.41342932e-31  1.93406534e-10]
 [-7.16012625e-31  6.56560718e-31 -1.93406534e-10]
 [ 2.52710338e-31 -4.37707145e-31 -1.93406534e-10]]
stress =  [-1.12913896e-10 -1.12913896e-10 -1.01117263e-10 -4.14467220e-44
 -1.64994829e-44 -3.39362656e-28]
energy per atom =  -8.517647562424909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0