element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:17      -12.791852        11.208218
BFGS:    1 15:39:17      -13.727513         3.868360
BFGS:    2 15:39:17      -13.978707         2.398243
BFGS:    3 15:39:17      -14.137689         0.333375
BFGS:    4 15:39:17      -14.141924         0.104896
BFGS:    5 15:39:17      -14.142546         0.027616
BFGS:    6 15:39:17      -14.142584         0.005500
BFGS:    7 15:39:17      -14.142591         0.011052
BFGS:    8 15:39:17      -14.142604         0.002418
BFGS:    9 15:39:17      -14.142604         0.002597
BFGS:   10 15:39:18      -14.142604         0.000141
BFGS:   11 15:39:18      -14.142604         0.000009
BFGS:   12 15:39:18      -14.142604         0.000000
BFGS:   13 15:39:18      -14.142604         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.8604326993028496e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.28170065e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.995070077704965, 8.911663120858752e-33, -5.369760691016544e-33], [4.330496814745073e-33, 3.995070077704965, -8.792598672854527e-18], [1.647264800741654e-33, -8.792598672854532e-18, 3.995070077704965]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.86043270e-13 -3.86043270e-13 -3.86043270e-13  2.94861146e-29
 -6.43562026e-35  4.11524341e-52]
energy per atom =  -3.5356509550245834
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0