element(s):
['Si']
AFLOW prototype label:
A_oF16_69_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474']
model name:
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.27623302 0.        ]
 [0.22815526 0.         0.        ]]
spacegroup =  69
cell =  [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:54      -66.386444        10.436455
BFGS:    1 15:33:55      -65.802680         6.324571
BFGS:    2 15:33:55      -68.231552        15.816712
BFGS:    3 15:33:55      -67.559578         8.715051
BFGS:    4 15:33:55      -68.601599         9.261442
BFGS:    5 15:33:55      -69.826854         8.321969
BFGS:    6 15:33:56      -70.937946        10.127349
BFGS:    7 15:33:56      -70.869055         8.909074
BFGS:    8 15:33:56      -71.590040         2.051209
BFGS:    9 15:33:56      -71.426017         9.071943
BFGS:   10 15:33:56      -71.629326         1.741452
BFGS:   11 15:33:56      -71.642592         0.933066
BFGS:   12 15:33:57      -71.677890         2.417796
BFGS:   13 15:33:57      -71.693119         2.085110
BFGS:   14 15:33:57      -71.730466         2.475696
BFGS:   15 15:33:57      -71.743587         0.536628
BFGS:   16 15:33:58      -71.748033         0.334467
BFGS:   17 15:33:58      -71.749443         0.403817
BFGS:   18 15:33:58      -71.752847         0.604577
BFGS:   19 15:33:58      -71.763164         0.624200
BFGS:   20 15:33:58      -71.770961         0.410292
BFGS:   21 15:33:59      -71.773743         0.094008
BFGS:   22 15:33:59      -71.773843         0.060564
BFGS:   23 15:33:59      -71.774178         0.220404
BFGS:   24 15:33:59      -71.774717         0.348503
BFGS:   25 15:34:00      -71.775199         0.322067
BFGS:   26 15:34:00      -71.775369         0.113193
BFGS:   27 15:34:00      -71.775391         0.033717
BFGS:   28 15:34:00      -71.775395         0.015160
BFGS:   29 15:34:01      -71.775395         0.002511
BFGS:   30 15:34:01      -71.775395         0.000430
BFGS:   31 15:34:01      -71.775395         0.000098
BFGS:   32 15:34:01      -71.775395         0.000016
BFGS:   33 15:34:02      -71.775395         0.000000
BFGS:   34 15:34:02      -71.775395         0.000000
Minimization converged after 34 steps.
Maximum force component: 3.1577887764171045e-09 eV/Angstrom
Maximum stress component: 1.2854971448758486e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 2.87650812e-01 0.00000000e+00]
 [0.00000000e+00 7.12349188e-01 0.00000000e+00]
 [1.63797806e-35 7.87650812e-01 5.00000000e-01]
 [1.88079096e-37 2.12349188e-01 5.00000000e-01]
 [5.00000000e-01 2.87650812e-01 5.00000000e-01]
 [5.00000000e-01 7.12349188e-01 5.00000000e-01]
 [5.00000000e-01 7.87650812e-01 0.00000000e+00]
 [5.00000000e-01 2.12349188e-01 0.00000000e+00]
 [2.31297864e-01 1.00000000e+00 0.00000000e+00]
 [7.68702136e-01 1.00000000e+00 0.00000000e+00]
 [2.31297864e-01 5.00000000e-01 5.00000000e-01]
 [7.68702136e-01 5.00000000e-01 5.00000000e-01]
 [7.31297864e-01 1.00000000e+00 5.00000000e-01]
 [2.68702136e-01 1.00000000e+00 5.00000000e-01]
 [7.31297864e-01 5.00000000e-01 0.00000000e+00]
 [2.68702136e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.476265598452608, -6.216282347531522e-54, 1.0145053325777943e-35], [3.257241401268879e-55, 9.237482328603262, -5.833669391874775e-18], [5.6683271390714255e-36, -3.0813619055296835e-18, 4.895175353000304]])
forces =  [[ 4.56006039e-65  1.29322553e-09 -8.16699822e-28]
 [-5.40001480e-31 -1.29322553e-09  8.16699822e-28]
 [ 2.70000740e-31  1.29322553e-09 -8.16699822e-28]
 [-5.40001480e-31 -1.29322553e-09  8.16699822e-28]
 [ 4.56006039e-65  1.29322553e-09 -8.16699822e-28]
 [-5.40001480e-31 -1.29322553e-09  8.16699822e-28]
 [ 5.06251387e-31  1.29322553e-09 -8.16699822e-28]
 [-5.40001480e-31 -1.29322553e-09  8.16699822e-28]
 [-3.15778878e-09  1.89903589e-50 -3.01688473e-32]
 [ 3.15778878e-09 -1.89903589e-50  3.01688473e-32]
 [-3.15778878e-09  1.89903589e-50 -3.01688473e-32]
 [ 3.15778878e-09 -1.89903589e-50  3.01688473e-32]
 [-3.15778878e-09  2.37379487e-50 -3.77110592e-32]
 [ 3.15778878e-09 -9.49517946e-51  1.50844237e-32]
 [-3.15778878e-09  1.89903589e-50 -3.01688473e-32]
 [ 3.15778878e-09 -9.49517946e-51  1.50844237e-32]]
stress =  [-1.99729636e-11  9.08289077e-11  1.28549714e-10  8.10651206e-90
 -2.29899331e-34  9.81721239e-66]
energy per atom =  -4.415227494669065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.