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 14:20:07      -66.291364        1.1053
BFGS:    1 14:20:07      -66.427907        1.0010
BFGS:    2 14:20:07      -66.788623        0.5931
BFGS:    3 14:20:07      -67.045879        0.5266
BFGS:    4 14:20:07      -67.248949        0.5190
BFGS:    5 14:20:07      -67.381726        0.5803
BFGS:    6 14:20:07      -67.437601        0.6027
BFGS:    7 14:20:07      -67.468253        0.6065
BFGS:    8 14:20:07      -67.556951        0.6306
BFGS:    9 14:20:07      -67.603970        0.6336
BFGS:   10 14:20:07      -67.633523        0.6218
BFGS:   11 14:20:07      -67.672384        0.5912
BFGS:   12 14:20:07      -67.714940        0.5515
BFGS:   13 14:20:07      -67.761596        0.5193
BFGS:   14 14:20:07      -67.811168        0.4739
BFGS:   15 14:20:07      -67.862496        0.4153
BFGS:   16 14:20:07      -67.914098        0.4626
BFGS:   17 14:20:07      -67.963528        0.5447
BFGS:   18 14:20:07      -68.006772        0.6117
BFGS:   19 14:20:08      -68.035135        0.6379
BFGS:   20 14:20:08      -68.043357        0.5808
BFGS:   21 14:20:08      -68.058244        0.3904
BFGS:   22 14:20:08      -68.070840        0.1906
BFGS:   23 14:20:08      -68.081991        0.0975
BFGS:   24 14:20:08      -68.085075        0.0743
BFGS:   25 14:20:08      -68.085524        0.0598
BFGS:   26 14:20:08      -68.085674        0.0573
BFGS:   27 14:20:08      -68.085914        0.0637
BFGS:   28 14:20:08      -68.086579        0.0663
BFGS:   29 14:20:08      -68.087591        0.0563
BFGS:   30 14:20:08      -68.088372        0.0441
BFGS:   31 14:20:08      -68.088679        0.0137
BFGS:   32 14:20:08      -68.088706        0.0011
BFGS:   33 14:20:08      -68.088707        0.0001
BFGS:   34 14:20:08      -68.088707        0.0000
BFGS:   35 14:20:08      -68.088707        0.0000
BFGS:   36 14:20:08      -68.088707        0.0000
BFGS:   37 14:20:08      -68.088707        0.0000
BFGS:   38 14:20:08      -68.088707        0.0000
Minimization converged after 38 steps.
Maximum force component: 1.5698024229799346e-09 eV/Angstrom
Maximum stress component: 6.537681457504083e-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]
 [1.14022961e-36 7.50000000e-01 3.90017380e-35]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [1.31067620e-36 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 3.90017380e-35]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [2.50000000e-01 1.00000000e+00 6.84472912e-37]
 [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([[5.155992288690322, -6.636162195367985e-58, 1.3187432024140255e-37], [-2.183501054291072e-55, 8.9304406067076, -1.7217274179796138e-18], [1.726417411501388e-36, -8.741750654410503e-19, 4.9380618529598275]])
forces =  [[ 3.83818156e-65 -1.56980242e-09  3.02647091e-28]
 [-3.83818156e-65  1.56980242e-09 -3.02647091e-28]
 [ 3.83818156e-65 -1.56980242e-09  3.02647091e-28]
 [-3.83818156e-65  1.56980242e-09 -3.02647091e-28]
 [ 3.83818156e-65 -1.56980242e-09  3.02647091e-28]
 [-3.83818156e-65  1.56980242e-09 -3.02647091e-28]
 [ 3.83818156e-65 -1.56980242e-09  3.02647091e-28]
 [-3.83818156e-65  1.56980242e-09 -3.02647091e-28]
 [-9.00253930e-10  5.38751979e-51 -3.04331558e-32]
 [ 9.00253930e-10 -1.07750396e-50  6.08663116e-32]
 [-9.00253930e-10  1.07750396e-50 -6.08663116e-32]
 [ 9.00253930e-10 -1.07750396e-50  6.08663116e-32]
 [-9.00253930e-10  1.07750396e-50 -6.08663116e-32]
 [ 9.00253930e-10 -1.07750396e-50  6.08663116e-32]
 [-9.00253930e-10  1.07750396e-50 -6.08663116e-32]
 [ 9.00253930e-10 -1.07750396e-50  6.08663116e-32]]
stress =  [ 2.35355036e-11 -6.53768146e-11  2.47327754e-11 -5.91837118e-90
 -2.42059248e-34  5.37085289e-66]
energy per atom =  -4.255544159804745
===============================================
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.