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_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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 15:10:32       -7.087917         6.479194
BFGS:    1 15:10:32       -7.736495         3.967023
BFGS:    2 15:10:32       -8.103234         2.033029
BFGS:    3 15:10:32       -8.253753         0.573890
BFGS:    4 15:10:32       -8.267191         0.151451
BFGS:    5 15:10:32       -8.268487         0.195677
BFGS:    6 15:10:32       -8.269646         0.202753
BFGS:    7 15:10:32       -8.271290         0.146216
BFGS:    8 15:10:32       -8.272077         0.052481
BFGS:    9 15:10:32       -8.272204         0.013991
BFGS:   10 15:10:32       -8.272217         0.001674
BFGS:   11 15:10:32       -8.272217         0.000190
BFGS:   12 15:10:32       -8.272217         0.000010
BFGS:   13 15:10:32       -8.272217         0.000000
BFGS:   14 15:10:32       -8.272217         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.9595866466889103e-32 eV/Angstrom
Maximum stress component: 4.2578773119994696e-11 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([[2.938946482533094, 3.602833467777035e-17, -8.8089048189735e-37], [-1.469473241266547, 2.5452023142365783, -1.426234298844002e-34], [-2.1289987748060934e-35, 1.40487446453997e-35, 4.769416682638887]])
forces =  [[ 1.62259211e-32 -7.18942598e-33  1.95958665e-32]
 [-1.62259211e-32  7.18942598e-33 -1.95958665e-32]]
stress =  [-4.25787731e-11 -4.25787731e-11  1.28922631e-11  8.46158337e-34
  2.93117846e-34  1.18947385e-26]
energy per atom =  -4.136108480353116
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0