element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:27      -16.645586         3.234737
BFGS:    1 15:39:28      -17.478229         3.789810
BFGS:    2 15:39:28      -17.811606         2.532664
BFGS:    3 15:39:28      -17.963730         1.346727
BFGS:    4 15:39:28      -18.060818         0.353949
BFGS:    5 15:39:28      -18.068553         0.128163
BFGS:    6 15:39:28      -18.069279         0.147626
BFGS:    7 15:39:28      -18.070423         0.118898
BFGS:    8 15:39:28      -18.070938         0.050153
BFGS:    9 15:39:28      -18.071046         0.007084
BFGS:   10 15:39:28      -18.071050         0.000798
BFGS:   11 15:39:28      -18.071050         0.000088
BFGS:   12 15:39:28      -18.071050         0.000028
BFGS:   13 15:39:28      -18.071050         0.000003
BFGS:   14 15:39:28      -18.071050         0.000000
BFGS:   15 15:39:28      -18.071050         0.000000
BFGS:   16 15:39:28      -18.071050         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.955906028099698e-10 eV/Angstrom
Maximum stress component: 4.5150068659862183e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.57433992]
 [0.66666666 0.33333334 0.07433992]
 [0.66666666 0.33333334 0.42566008]
 [0.33333333 0.66666667 0.92566008]]
cellpar =  Cell([[3.7097820850290755, 1.563591975329574e-17, 4.403463301641923e-36], [-1.8548910425145377, 3.212765528139579, 6.802316638669068e-37], [-4.40860596240706e-36, -3.209018540490788e-35, 6.653036319724366]])
forces =  [[ 1.21937586e-31 -2.11202094e-31 -3.95590603e-10]
 [-4.87750342e-31  4.22404187e-31 -3.95590603e-10]
 [-7.31625513e-31  2.11202094e-31  3.95590603e-10]
 [ 2.43875171e-31 -1.90705967e-45  3.95590603e-10]]
stress =  [-1.73778313e-12 -1.73778313e-12  4.51500687e-11 -1.92220755e-32
 -1.33174446e-33 -7.13060383e-28]
energy per atom =  -4.517762597927814
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0