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_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_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 15:07:51       -6.065414        9.9230
BFGS:    1 15:07:51       -6.967151        3.1717
BFGS:    2 15:07:51       -7.090233        0.7938
BFGS:    3 15:07:51       -7.100589        0.4467
BFGS:    4 15:07:51       -7.105722        0.1964
BFGS:    5 15:07:51       -7.106860        0.0787
BFGS:    6 15:07:51       -7.107085        0.0639
BFGS:    7 15:07:51       -7.107245        0.0691
BFGS:    8 15:07:51       -7.107474        0.0537
BFGS:    9 15:07:51       -7.107625        0.0233
BFGS:   10 15:07:51       -7.107662        0.0072
BFGS:   11 15:07:51       -7.107660        0.0098
BFGS:   12 15:07:51       -7.107663        0.0018
BFGS:   13 15:07:51       -7.107663        0.0011
BFGS:   14 15:07:51       -7.107663        0.0001
BFGS:   15 15:07:51       -7.107663        0.0000
BFGS:   16 15:07:51       -7.107663        0.0000
Minimization converged after 16 steps.
Maximum force component: 7.981395832334028e-32 eV/Angstrom
Maximum stress component: 1.8101002097323133e-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([[2.787321440911068, -2.8233337663897208e-18, 2.111543079671439e-37], [-1.393660720455534, 2.413891176342031, 1.5363706981563004e-35], [-2.0505009928632308e-36, 1.2420412175088783e-35, 4.8564581844083134]])
forces =  [[-3.36991681e-68  2.04124533e-67  7.98139583e-32]
 [ 4.58085191e-32 -1.98356706e-32 -7.98139583e-32]]
stress =  [7.03844162e-11 7.03844162e-11 1.81010021e-10 1.05143667e-33
 6.07047243e-34 2.21072812e-28]
energy per atom =  -3.5538313831023878
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0