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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:23:20      -41.469493        17.443883
BFGS:    1 16:23:20      -44.018478        18.498364
BFGS:    2 16:23:20      -46.605606        19.560518
BFGS:    3 16:23:20      -49.215722        20.549952
BFGS:    4 16:23:20      -51.839289        21.483385
BFGS:    5 16:23:20      -54.454815        22.326863
BFGS:    6 16:23:20      -57.036195        23.036760
BFGS:    7 16:23:20      -59.553619        23.557629
BFGS:    8 16:23:20      -61.980763        23.898174
BFGS:    9 16:23:20      -64.335511        23.830087
BFGS:   10 16:23:20      -66.581749        23.356942
BFGS:   11 16:23:20      -68.807955        22.284816
BFGS:   12 16:23:20      -71.086473        20.550092
BFGS:   13 16:23:20      -73.416627        17.874946
BFGS:   14 16:23:20      -75.649689        13.851351
BFGS:   15 16:23:20      -77.196211         8.625544
BFGS:   16 16:23:20      -77.889520         1.033539
BFGS:   17 16:23:20      -77.897921         0.216330
BFGS:   18 16:23:20      -77.898230         0.080782
BFGS:   19 16:23:20      -77.898215         0.124569
BFGS:   20 16:23:20      -77.898258         0.001011
BFGS:   21 16:23:20      -77.898258         0.000060
BFGS:   22 16:23:20      -77.898258         0.000000
BFGS:   23 16:23:20      -77.898258         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.0440842915953794e-31 eV/Angstrom
Maximum stress component: 7.266986117931524e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.10395989e-33 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.051437089322618, -1.5610875219450791e-35, -4.277913308808868e-38], [1.4609753947990818e-35, 4.051437089322619, -1.337297726785073e-18], [-2.616684010373482e-37, -6.800127198000521e-19, 2.1176545262875974]])
forces =  [[-1.24844544e-32  1.87266816e-32 -6.18130017e-51]
 [ 1.56055680e-32 -3.35272156e-50  1.04408429e-31]
 [-2.49689088e-32  2.49689088e-32 -8.24173356e-51]
 [-2.49689088e-32 -3.74533632e-32 -1.04408429e-31]]
stress =  [ 6.66553851e-13  6.66553851e-13 -7.26698612e-12  2.66651298e-29
 -4.48958575e-34  2.69112131e-51]
energy per atom =  -19.474564465818517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0