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_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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 17:00:32      -66.291364         1.105256
BFGS:    1 17:00:32      -66.427907         1.000971
BFGS:    2 17:00:33      -66.788623         0.593089
BFGS:    3 17:00:33      -67.045879         0.526638
BFGS:    4 17:00:33      -67.248949         0.519035
BFGS:    5 17:00:34      -67.381726         0.580339
BFGS:    6 17:00:34      -67.437601         0.602671
BFGS:    7 17:00:34      -67.468253         0.606511
BFGS:    8 17:00:35      -67.556951         0.630611
BFGS:    9 17:00:35      -67.603970         0.633567
BFGS:   10 17:00:36      -67.633523         0.621753
BFGS:   11 17:00:36      -67.672384         0.591154
BFGS:   12 17:00:37      -67.714940         0.551481
BFGS:   13 17:00:37      -67.761596         0.519288
BFGS:   14 17:00:37      -67.811168         0.473861
BFGS:   15 17:00:37      -67.862496         0.415313
BFGS:   16 17:00:38      -67.914098         0.462609
BFGS:   17 17:00:38      -67.963528         0.544741
BFGS:   18 17:00:38      -68.006772         0.611697
BFGS:   19 17:00:38      -68.035135         0.637884
BFGS:   20 17:00:38      -68.043357         0.580788
BFGS:   21 17:00:38      -68.058244         0.390380
BFGS:   22 17:00:38      -68.070840         0.190615
BFGS:   23 17:00:38      -68.081991         0.097504
BFGS:   24 17:00:39      -68.085075         0.074333
BFGS:   25 17:00:39      -68.085524         0.059772
BFGS:   26 17:00:39      -68.085674         0.057255
BFGS:   27 17:00:40      -68.085914         0.063673
BFGS:   28 17:00:40      -68.086579         0.066292
BFGS:   29 17:00:40      -68.087591         0.056298
BFGS:   30 17:00:40      -68.088372         0.044106
BFGS:   31 17:00:41      -68.088679         0.013724
BFGS:   32 17:00:41      -68.088706         0.001051
BFGS:   33 17:00:42      -68.088707         0.000108
BFGS:   34 17:00:42      -68.088707         0.000045
BFGS:   35 17:00:43      -68.088707         0.000003
BFGS:   36 17:00:44      -68.088707         0.000000
BFGS:   37 17:00:44      -68.088707         0.000000
BFGS:   38 17:00:44      -68.088707         0.000000
Minimization converged after 38 steps.
Maximum force component: 1.5697947502110341e-09 eV/Angstrom
Maximum stress component: 6.537620562638256e-11 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 2.50000000e-01 0.00000000e+00]
 [1.88133623e-37 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [3.76158192e-37 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [2.50000000e-01 1.00000000e+00 1.67234732e-36]
 [7.50000000e-01 1.00000000e+00 0.00000000e+00]
 [2.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 1.00000000e+00 5.00000000e-01]
 [2.50000000e-01 1.00000000e+00 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.1559922886903236, -9.076029246474838e-55, 2.637771251611271e-37], [6.152879974733555e-55, 8.930440606707602, 1.5417419165114474e-17], [6.885424548957381e-37, 8.065835004455233e-18, 4.938061852959827]])
forces =  [[-1.08155455e-64 -1.56979475e-09 -2.71007722e-27]
 [ 1.08155455e-64  1.56979475e-09  2.71007722e-27]
 [-1.08155455e-64 -1.56979475e-09 -2.71007722e-27]
 [ 1.08155455e-64  1.56979475e-09  2.71007722e-27]
 [-1.08155455e-64 -1.56979475e-09 -2.71007722e-27]
 [ 1.08155455e-64  1.56979475e-09  2.71007722e-27]
 [-1.08155455e-64 -1.56979475e-09 -2.71007722e-27]
 [ 1.08155455e-64  1.56979475e-09  2.71007722e-27]
 [-9.00256964e-10  1.58471116e-64 -4.60565456e-47]
 [ 9.00256964e-10 -1.58471116e-64  4.60565456e-47]
 [-9.00256964e-10  1.58471116e-64 -4.60565456e-47]
 [ 9.00256964e-10 -1.58471116e-64  4.60565456e-47]
 [-9.00256964e-10  1.58471116e-64 -4.60565456e-47]
 [ 9.00256964e-10 -1.58471116e-64  4.60565456e-47]
 [-9.00256964e-10  1.58471116e-64 -4.60565456e-47]
 [ 9.00256964e-10 -1.58471116e-64  4.60565456e-47]]
stress =  [ 2.35361002e-11 -6.53762056e-11  2.47321515e-11 -4.16933935e-90
  6.05148119e-35 -1.51344228e-65]
energy per atom =  -4.255544159804746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF16_69_gh, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.