element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:32      -16.659183         0.575184
BFGS:    1 09:47:32      -16.669563         0.509195
BFGS:    2 09:47:32      -16.706593         0.200612
BFGS:    3 09:47:32      -16.707267         0.170221
BFGS:    4 09:47:32      -16.708593         0.141671
BFGS:    5 09:47:32      -16.715144         0.266226
BFGS:    6 09:47:32      -16.720773         0.367159
BFGS:    7 09:47:32      -16.728711         0.403270
BFGS:    8 09:47:32      -16.740192         0.203474
BFGS:    9 09:47:32      -16.743340         0.033921
BFGS:   10 09:47:32      -16.743395         0.005471
BFGS:   11 09:47:32      -16.743399         0.001177
BFGS:   12 09:47:32      -16.743399         0.000092
BFGS:   13 09:47:32      -16.743399         0.000006
BFGS:   14 09:47:32      -16.743399         0.000000
BFGS:   15 09:47:32      -16.743399         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.940149481959675e-32 eV/Angstrom
Maximum stress component: 2.9053605546571113e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[2.99956809e-33 1.98178944e-33 7.06443879e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [9.77506067e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.83096443e-33 7.50000000e-01]]
cellpar =  Cell([[4.770665287125629, -2.8328164378158486e-37, 2.361862787088135e-39], [-5.4184415742427745e-37, 4.770665287125632, -3.0854692508603094e-19], [4.993336517431006e-53, -1.577504533447622e-19, 2.8415166646198093]])
forces =  [[ 2.94014948e-32  3.64579586e-52 -6.56707444e-33]
 [ 2.94014948e-32 -2.94014948e-32 -1.75121985e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.53869061e-85 -4.86106115e-52  8.75609925e-33]]
stress =  [ 1.70364272e-10  1.70364272e-10  2.90536055e-10  4.04838689e-28
 -1.18250498e-63 -2.97046032e-63]
energy per atom =  -4.185849812040918
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0