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 15:07:03        2.533178       43.6467
BFGS:    1 15:07:03       -1.408880       44.7626
BFGS:    2 15:07:03       -4.691549       29.6474
BFGS:    3 15:07:03       -5.951990        3.7678
BFGS:    4 15:07:03       -5.957009        3.4597
BFGS:    5 15:07:03       -6.038712        5.6436
BFGS:    6 15:07:03       -6.244771        7.6509
BFGS:    7 15:07:03       -6.483480        6.7337
BFGS:    8 15:07:03       -6.674174        5.4182
BFGS:    9 15:07:03       -6.829996        4.4990
BFGS:   10 15:07:03       -6.962304        3.9107
BFGS:   11 15:07:03       -7.079566        3.5266
BFGS:   12 15:07:03       -7.186266        3.2230
BFGS:   13 15:07:03       -7.283130        2.8870
BFGS:   14 15:07:03       -7.367541        2.4209
BFGS:   15 15:07:03       -7.434090        1.7463
BFGS:   16 15:07:03       -7.475201        0.8046
BFGS:   17 15:07:03       -7.483351        0.2334
BFGS:   18 15:07:03       -7.484018        0.0141
BFGS:   19 15:07:03       -7.484020        0.0000
BFGS:   20 15:07:03       -7.484020        0.0000
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