element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:28:55        4.922936        32.815577
BFGS:    1 15:28:55       -0.116335        33.836185
BFGS:    2 15:28:55       -5.015699        30.610056
BFGS:    3 15:28:55       -8.992951        21.306546
BFGS:    4 15:28:55      -11.089271         5.783046
BFGS:    5 15:28:55      -11.225325         0.943716
BFGS:    6 15:28:55      -11.228992         0.008141
BFGS:    7 15:28:55      -11.228992         0.000002
BFGS:    8 15:28:55      -11.228992         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.566333246445848e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.39150626e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.44799612e-35]]
cellpar =  Cell([[4.076906721493898, -2.717342742882847e-32, 8.040145278868959e-33], [4.2979183177775204e-33, 4.076906721493898, 4.710297338405201e-18], [-2.4617467872089254e-32, 4.710297338405222e-18, 4.076906721493898]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.56633325e-13  4.56633325e-13  4.56633325e-13 -7.52417085e-30
 -1.00582805e-34  1.86229464e-52]
energy per atom =  -2.8072480459695917
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0