element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:10:03        2.533178        43.646730
BFGS:    1 14:10:03       -1.408880        44.762636
BFGS:    2 14:10:03       -4.691549        29.647407
BFGS:    3 14:10:03       -5.951990         3.767766
BFGS:    4 14:10:03       -5.957009         3.459687
BFGS:    5 14:10:03       -6.038712         5.643552
BFGS:    6 14:10:03       -6.244771         7.650856
BFGS:    7 14:10:03       -6.483480         6.733749
BFGS:    8 14:10:03       -6.674174         5.418187
BFGS:    9 14:10:03       -6.829996         4.498999
BFGS:   10 14:10:03       -6.962304         3.910681
BFGS:   11 14:10:03       -7.079566         3.526568
BFGS:   12 14:10:03       -7.186266         3.223046
BFGS:   13 14:10:03       -7.283130         2.886988
BFGS:   14 14:10:03       -7.367541         2.420935
BFGS:   15 14:10:03       -7.434090         1.746297
BFGS:   16 14:10:03       -7.475201         0.804572
BFGS:   17 14:10:03       -7.483351         0.233401
BFGS:   18 14:10:03       -7.484018         0.014105
BFGS:   19 14:10:03       -7.484020         0.000036
BFGS:   20 14:10:03       -7.484020         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.4654100036234103e-33 eV/Angstrom
Maximum stress component: 2.9099372458820317e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.560228123362834, 3.793514358600469e-17, 2.2142919808348913e-34], [-1.280114061681417, 2.2172225943155732, 4.771783281021445e-34], [2.3429694439279274e-35, 2.5305281231843607e-34, 6.328979613522074]])
forces =  [[ 2.46541000e-33 -1.99276718e-33 -4.51089956e-50]
 [-1.47924600e-33  1.42340513e-33  2.49476394e-67]]
stress =  [-2.90993725e-10 -2.90993725e-10 -5.48932300e-33  2.92789982e-34
  2.53563562e-34 -4.87893100e-26]
energy per atom =  -3.742010017778539
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0