element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
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 =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:03       -2.340633         3.874363
BFGS:    1 10:53:03       -3.067218         7.895476
BFGS:    2 10:53:03       -3.081527         6.327481
BFGS:    3 10:53:03       -3.263262         4.356224
BFGS:    4 10:53:03       -3.307662         3.132563
BFGS:    5 10:53:04       -3.398790         3.810978
BFGS:    6 10:53:04       -3.429995         0.796863
BFGS:    7 10:53:04       -3.434077         0.223809
BFGS:    8 10:53:04       -3.434420         0.005534
BFGS:    9 10:53:04       -3.434420         0.000019
BFGS:   10 10:53:04       -3.434420         0.000000
BFGS:   11 10:53:04       -3.434420         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2814349035049257e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.8729768761350623, 6.354484121674202e-18, 1.0196965041361897e-35], [-1.4364884380675311, 2.4880709592182217, -6.655368044891846e-36], [9.318936565174603e-35, -9.768086909380609e-35, 2.4664287565523453]])
forces =  [[0. 0. 0.]]
stress =  [-2.28143490e-10 -2.28143490e-10 -7.66238237e-11 -5.22432831e-45
  1.02287456e-44  4.22202582e-26]
energy per atom =  -3.434420467470746
===============================================