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 12:57:13        2.533178        43.646730
BFGS:    1 12:57:13       -1.408880        44.762636
BFGS:    2 12:57:13       -4.691549        29.647407
BFGS:    3 12:57:13       -5.951990         3.767766
BFGS:    4 12:57:13       -5.957009         3.459687
BFGS:    5 12:57:13       -6.038712         5.643552
BFGS:    6 12:57:14       -6.244771         7.650856
BFGS:    7 12:57:14       -6.483480         6.733749
BFGS:    8 12:57:14       -6.674174         5.418187
BFGS:    9 12:57:14       -6.829996         4.498999
BFGS:   10 12:57:14       -6.962304         3.910681
BFGS:   11 12:57:14       -7.079566         3.526568
BFGS:   12 12:57:14       -7.186266         3.223046
BFGS:   13 12:57:14       -7.283130         2.886988
BFGS:   14 12:57:14       -7.367541         2.420935
BFGS:   15 12:57:14       -7.434090         1.746297
BFGS:   16 12:57:14       -7.475201         0.804572
BFGS:   17 12:57:15       -7.483351         0.233401
BFGS:   18 12:57:15       -7.484018         0.014105
BFGS:   19 12:57:15       -7.484020         0.000036
BFGS:   20 12:57:15       -7.484020         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.1366886698069552e-33 eV/Angstrom
Maximum stress component: 2.9099117243897464e-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([[2.5602281233628337, 1.0954483659564272e-17, 2.794004349156607e-35], [-1.2801140616814168, 2.217222594315575, 4.5640614779466645e-35], [5.793972926399992e-35, 7.6017764540701965e-34, 6.328979613522344]])
forces =  [[-1.31488534e-33  1.13872410e-33 -6.40802304e-53]
 [ 2.13668867e-33 -1.42340513e-33 -1.49507245e-68]]
stress =  [-2.90991172e-10 -2.90991172e-10 -3.84252610e-32  3.49511103e-44
  2.53563562e-34 -1.58710916e-26]
energy per atom =  -3.742010017778538
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0