element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:28:13      -37.178770        0.2589
BFGS:    1 17:28:13      -37.181543        0.2410
BFGS:    2 17:28:13      -37.199629        0.0018
BFGS:    3 17:28:13      -37.199630        0.0000
BFGS:    4 17:28:13      -37.199630        0.0000
Minimization converged after 4 steps.
Maximum force component: 1.7849614096977215e-31 eV/Angstrom
Maximum stress component: 2.5612064361156844e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[1.12987890e-32 0.00000000e+00 1.74281242e-32]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.24875441e-33]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.430497765730104, -1.654980062161081e-34, -6.447376977635483e-36], [-2.8372063235452564e-34, 5.430497765730104, 2.1724142812798137e-23], [7.041046632670927e-34, 2.1724142812798143e-23, 5.430497765730104]])
forces =  [[ 1.84771396e-32  2.09175165e-32 -2.23120176e-32]
 [ 4.18350330e-33  1.78496141e-31  7.25140573e-32]
 [-2.23120176e-32  6.69360529e-32 -6.13580485e-32]
 [-1.11560088e-31 -6.13580485e-32  1.67340132e-32]
 [ 5.57800441e-33 -5.57800441e-33  2.44037693e-32]
 [ 2.78900220e-32 -6.13580485e-32  4.46240352e-32]
 [ 1.05982084e-31  8.64590683e-32 -2.78900220e-32]
 [-1.11560088e-32 -2.23120176e-32 -1.67340132e-32]]
stress =  [ 2.56120644e-11  2.56120644e-11  2.56120644e-11  3.27699868e-27
  2.08983109e-34 -8.09612421e-53]
energy per atom =  -4.649953801737322
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0