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_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_000
==== 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 15:10:43        2.533177        43.646730
BFGS:    1 15:10:43       -1.408881        44.762632
BFGS:    2 15:10:43       -4.691544        29.647467
BFGS:    3 15:10:43       -5.951993         3.767955
BFGS:    4 15:10:43       -5.957014         3.459717
BFGS:    5 15:10:43       -6.038730         5.643697
BFGS:    6 15:10:43       -6.244798         7.650730
BFGS:    7 15:10:43       -6.483502         6.733594
BFGS:    8 15:10:43       -6.674192         5.418068
BFGS:    9 15:10:43       -6.830011         4.498921
BFGS:   10 15:10:43       -6.962318         3.910631
BFGS:   11 15:10:43       -7.079578         3.526534
BFGS:   12 15:10:43       -7.186277         3.223013
BFGS:   13 15:10:43       -7.283140         2.886946
BFGS:   14 15:10:43       -7.367549         2.420874
BFGS:   15 15:10:43       -7.434096         1.746209
BFGS:   16 15:10:43       -7.475203         0.804452
BFGS:   17 15:10:43       -7.483351         0.233341
BFGS:   18 15:10:43       -7.484018         0.014099
BFGS:   19 15:10:43       -7.484020         0.000036
BFGS:   20 15:10:43       -7.484020         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.4234051295348373e-34 eV/Angstrom
Maximum stress component: 2.5505873798173056e-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([[2.5602281238665765, -1.1364982710671404e-17, 2.6178884994870825e-35], [-1.2801140619332882, 2.2172225947518287, 4.854895627677049e-35], [-1.0675780256453789e-35, -4.8024756323072753e-35, 6.328974551094754]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.21803335e-35  1.42340513e-34  3.11672962e-69]]
stress =  [-2.55058738e-10 -2.55058738e-10 -1.64679822e-32  7.31975540e-34
 -4.30144061e-46 -5.69219518e-26]
energy per atom =  -3.7420099984595954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0