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:
MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002
==== 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 15:07:33       -6.396059        6.3258
BFGS:    1 15:07:33       -7.087989        4.1714
BFGS:    2 15:07:33       -7.524642        2.5022
BFGS:    3 15:07:33       -7.763371        1.2210
BFGS:    4 15:07:33       -7.849578        0.3080
BFGS:    5 15:07:33       -7.855148        0.0859
BFGS:    6 15:07:33       -7.855592        0.1183
BFGS:    7 15:07:33       -7.856084        0.1322
BFGS:    8 15:07:33       -7.857079        0.1260
BFGS:    9 15:07:33       -7.858077        0.0810
BFGS:   10 15:07:33       -7.858519        0.0237
BFGS:   11 15:07:33       -7.858559        0.0054
BFGS:   12 15:07:33       -7.858562        0.0013
BFGS:   13 15:07:33       -7.858562        0.0002
BFGS:   14 15:07:33       -7.858562        0.0000
BFGS:   15 15:07:33       -7.858562        0.0000
BFGS:   16 15:07:33       -7.858562        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.8500439376523815e-32 eV/Angstrom
Maximum stress component: 3.7146877081358415e-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([[3.001867914257457, 5.875539810401507e-17, 2.7907040747590784e-35], [-1.5009339571287286, 2.599693872552363, 5.559594910693547e-35], [-4.397533576536888e-36, -1.0107582388932988e-35, 4.8647146933858885]])
forces =  [[ 1.85004394e-32 -1.06812337e-32 -1.13764049e-67]
 [-1.85004394e-32  1.06812337e-32  1.13764049e-67]]
stress =  [-3.71468771e-10 -3.71468771e-10 -1.21818028e-11  1.11676637e-34
 -8.79225495e-35  1.45054670e-26]
energy per atom =  -3.929281106463695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0