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:
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001
==== 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 16:23:09      -11.406497        19.362449
BFGS:    1 16:23:09      -13.307922        14.533300
BFGS:    2 16:23:09      -14.761644        10.125093
BFGS:    3 16:23:09      -15.792238         6.166317
BFGS:    4 16:23:09      -16.398255         2.836549
BFGS:    5 16:23:09      -16.629890         0.772887
BFGS:    6 16:23:09      -16.649105         0.285190
BFGS:    7 16:23:09      -16.652992         0.433010
BFGS:    8 16:23:09      -16.660496         0.565643
BFGS:    9 16:23:09      -16.669794         0.529214
BFGS:   10 16:23:09      -16.676263         0.278291
BFGS:   11 16:23:09      -16.678117         0.059626
BFGS:   12 16:23:09      -16.678283         0.003649
BFGS:   13 16:23:09      -16.678285         0.000393
BFGS:   14 16:23:09      -16.678285         0.000011
BFGS:   15 16:23:09      -16.678285         0.000000
BFGS:   16 16:23:09      -16.678285         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.398204668252018e-32 eV/Angstrom
Maximum stress component: 1.7507792618985238e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 8.84197447e-33 4.52706760e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.92053136e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.43565038e-33 7.50000000e-01]]
cellpar =  Cell([[5.1884127354535465, 1.0321829308658348e-35, -1.4001936154181462e-38], [-1.9317062726143976e-35, 5.1884127354535465, -1.5351457019171662e-19], [1.80000295174631e-37, -9.268671125122734e-20, 2.744790742162705]])
forces =  [[-2.39820467e-32 -2.39820467e-32  7.09579938e-52]
 [ 7.99401556e-33  4.99822715e-52 -1.48015691e-32]
 [-4.89668491e-70  2.52142709e-52 -7.46686299e-33]
 [ 5.89012929e-68 -1.59880311e-32 -9.51529443e-33]]
stress =  [-1.75077926e-11 -1.75077926e-11 -8.34302706e-13  1.00944071e-30
  2.70474748e-35 -1.40759668e-52]
energy per atom =  -4.1695712812466885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0