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_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_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 17:14:08      -17.024957        1.1411
BFGS:    1 17:14:08      -17.042484        1.0031
BFGS:    2 17:14:08      -17.082057        0.5654
BFGS:    3 17:14:08      -17.101532        0.3506
BFGS:    4 17:14:09      -17.106613        0.3416
BFGS:    5 17:14:09      -17.112040        0.2320
BFGS:    6 17:14:09      -17.115906        0.1060
BFGS:    7 17:14:09      -17.116449        0.0189
BFGS:    8 17:14:09      -17.116464        0.0009
BFGS:    9 17:14:09      -17.116464        0.0001
BFGS:   10 17:14:09      -17.116464        0.0000
BFGS:   11 17:14:09      -17.116464        0.0000
BFGS:   12 17:14:09      -17.116464        0.0000
Minimization converged after 12 steps.
Maximum force component: 6.28063423904913e-32 eV/Angstrom
Maximum stress component: 2.5850969362277343e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[3.43720010e-34 7.74076989e-34 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.88124212e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.60703029e-35 7.50000000e-01]]
cellpar =  Cell([[4.865757688126087, 3.1729534579135684e-38, 8.152921189475872e-41], [7.56861600065899e-37, 4.865757688126088, 6.335709718414433e-20], [-3.654161885873209e-39, 3.466855331764182e-20, 2.5477279241422717]])
forces =  [[-9.32903948e-69 -5.99750940e-32 -7.80936516e-52]
 [ 9.35156000e-69  5.99750940e-32 -1.57015856e-32]
 [ 9.00820454e-71 -8.54645824e-52 -6.28063424e-32]
 [ 5.63012784e-71 -5.34153640e-52 -3.92539640e-32]]
stress =  [-8.50159744e-12 -8.50159744e-12  2.58509694e-11  1.33626273e-29
 -9.94298845e-34 -6.36634539e-52]
energy per atom =  -4.279116052294705
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0