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:
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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 14:10:02       -7.496840         0.205787
BFGS:    1 14:10:02       -7.497921         0.155236
BFGS:    2 14:10:02       -7.499018         0.200622
BFGS:    3 14:10:02       -7.499404         0.136199
BFGS:    4 14:10:02       -7.500063         0.055558
BFGS:    5 14:10:02       -7.500807         0.054365
BFGS:    6 14:10:02       -7.501001         0.021971
BFGS:    7 14:10:02       -7.501019         0.005450
BFGS:    8 14:10:02       -7.501020         0.000613
BFGS:    9 14:10:02       -7.501020         0.000019
BFGS:   10 14:10:02       -7.501020         0.000001
BFGS:   11 14:10:02       -7.501020         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.095239446292483e-32 eV/Angstrom
Maximum stress component: 2.6133051708965384e-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([[2.656773280351215, 3.8389635798483385e-18, 1.677715209491899e-36], [-1.3283866401756075, 2.300833152879868, 7.190982742298934e-36], [1.4884549829922017e-36, 1.5931455950656579e-35, 4.644905991698878]])
forces =  [[ 7.09523945e-32 -2.83599582e-32 -5.41699780e-68]
 [-4.91208885e-32  2.83599582e-32  6.79562690e-68]]
stress =  [-1.57364446e-10 -1.57364446e-10 -2.61330517e-10 -4.80559495e-34
 -1.51291008e-45  3.26176923e-26]
energy per atom =  -3.750509796758796
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0