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_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_000
==== 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 17:18:58      -36.096787        0.4019
BFGS:    1 17:18:58      -36.110725        0.3215
BFGS:    2 17:18:58      -36.116271        0.3459
BFGS:    3 17:18:58      -36.119779        0.3351
BFGS:    4 17:18:58      -36.132827        0.2440
BFGS:    5 17:18:58      -36.143188        0.2162
BFGS:    6 17:18:58      -36.150664        0.1226
BFGS:    7 17:18:58      -36.152288        0.0835
BFGS:    8 17:18:58      -36.152682        0.0652
BFGS:    9 17:18:58      -36.153113        0.0516
BFGS:   10 17:18:58      -36.153549        0.0469
BFGS:   11 17:18:58      -36.153936        0.0310
BFGS:   12 17:18:58      -36.154053        0.0092
BFGS:   13 17:18:58      -36.154066        0.0012
BFGS:   14 17:18:58      -36.154067        0.0001
BFGS:   15 17:18:58      -36.154067        0.0000
BFGS:   16 17:18:58      -36.154067        0.0000
BFGS:   17 17:18:58      -36.154067        0.0000
BFGS:   18 17:18:58      -36.154067        0.0000
Minimization converged after 18 steps.
Maximum force component: 2.447617660416777e-09 eV/Angstrom
Maximum stress component: 3.166007776042866e-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 4.57626736e-36]
 [1.80945896e-01 8.19054104e-01 6.10168981e-36]
 [8.19054104e-01 1.80945896e-01 3.05084491e-36]
 [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([[6.614369902297948, -1.446703116877709e-35, -1.5620565504214382e-33], [-9.307644292348312e-36, 6.614369902297952, -9.470818908693387e-20], [-3.639419591773672e-35, -5.785691372964802e-20, 3.9454847841977747]])
forces =  [[ 2.44761766e-09  2.44761766e-09 -3.50463369e-29]
 [-2.44761766e-09 -2.44761766e-09  3.50463369e-29]
 [-2.44761766e-09  2.44761766e-09 -3.50463369e-29]
 [ 2.44761766e-09 -2.44761766e-09  3.50463369e-29]
 [ 2.44761766e-09  2.44761766e-09 -3.50463369e-29]
 [-2.44761766e-09 -2.44761766e-09  3.50463369e-29]
 [-2.44761766e-09  2.44761766e-09 -3.50463369e-29]
 [ 2.44761766e-09 -2.44761766e-09  3.50463369e-29]]
stress =  [ 3.16600778e-10  3.16600778e-10 -2.26029258e-10  4.19842633e-26
 -1.07008835e-34 -1.43811138e-50]
energy per atom =  -4.519258344126995
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0