element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:32:04      -36.096787         0.401919
BFGS:    1 17:32:04      -36.110726         0.321544
BFGS:    2 17:32:04      -36.116271         0.345891
BFGS:    3 17:32:04      -36.119780         0.335056
BFGS:    4 17:32:04      -36.132827         0.244030
BFGS:    5 17:32:04      -36.143188         0.216214
BFGS:    6 17:32:04      -36.150664         0.122555
BFGS:    7 17:32:04      -36.152288         0.083537
BFGS:    8 17:32:04      -36.152682         0.065223
BFGS:    9 17:32:04      -36.153114         0.051627
BFGS:   10 17:32:04      -36.153550         0.046899
BFGS:   11 17:32:04      -36.153936         0.031046
BFGS:   12 17:32:04      -36.154053         0.009190
BFGS:   13 17:32:04      -36.154066         0.001214
BFGS:   14 17:32:05      -36.154067         0.000134
BFGS:   15 17:32:05      -36.154067         0.000010
BFGS:   16 17:32:05      -36.154067         0.000001
BFGS:   17 17:32:05      -36.154067         0.000000
BFGS:   18 17:32:05      -36.154067         0.000000
Minimization converged after 18 steps.
Maximum force component: 2.4474367721263193e-09 eV/Angstrom
Maximum stress component: 3.167507030611595e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19054104e-01 8.19054104e-01 0.00000000e+00]
 [1.80945896e-01 1.80945896e-01 1.95254074e-34]
 [1.80945896e-01 8.19054104e-01 0.00000000e+00]
 [8.19054104e-01 1.80945896e-01 2.92881111e-34]
 [3.19054104e-01 3.19054104e-01 5.00000000e-01]
 [6.80945896e-01 6.80945896e-01 5.00000000e-01]
 [6.80945896e-01 3.19054104e-01 5.00000000e-01]
 [3.19054104e-01 6.80945896e-01 5.00000000e-01]]
cellpar =  Cell([[6.6143699009814245, -4.102936175435088e-37, -5.367267186213254e-35], [1.8255493521397277e-36, 6.614369900981425, -1.6090656501338966e-17], [-1.4849796395527918e-32, -9.356406782364872e-18, 3.9454847839041594]])
forces =  [[ 2.44743677e-09  2.44743677e-09 -5.95384676e-27]
 [-2.44743677e-09 -2.44743677e-09  5.95381029e-27]
 [-2.44743677e-09  2.44743677e-09 -5.95381637e-27]
 [ 2.44743677e-09 -2.44743677e-09  5.95383461e-27]
 [ 2.44743677e-09  2.44743677e-09 -5.95383461e-27]
 [-2.44743677e-09 -2.44743677e-09  5.95382245e-27]
 [-2.44743677e-09  2.44743677e-09 -5.95381029e-27]
 [ 2.44743677e-09 -2.44743677e-09  5.95384068e-27]]
stress =  [ 3.16750703e-10  3.16750703e-10 -2.26031868e-10 -1.59462832e-26
  2.95196788e-34 -2.64480255e-50]
energy per atom =  -4.5192583608903325
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0