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 15:08:35       -7.087917        6.4792
BFGS:    1 15:08:35       -7.736495        3.9670
BFGS:    2 15:08:35       -8.103234        2.0330
BFGS:    3 15:08:35       -8.253753        0.5739
BFGS:    4 15:08:35       -8.267191        0.1515
BFGS:    5 15:08:35       -8.268487        0.1957
BFGS:    6 15:08:35       -8.269646        0.2028
BFGS:    7 15:08:35       -8.271290        0.1462
BFGS:    8 15:08:35       -8.272077        0.0525
BFGS:    9 15:08:35       -8.272204        0.0140
BFGS:   10 15:08:35       -8.272217        0.0017
BFGS:   11 15:08:35       -8.272217        0.0002
BFGS:   12 15:08:36       -8.272217        0.0000
BFGS:   13 15:08:36       -8.272217        0.0000
BFGS:   14 15:08:36       -8.272217        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.0187760190197457e-32 eV/Angstrom
Maximum stress component: 4.257926057638178e-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([[2.9389464825330935, 2.9184638744799746e-17, 6.734065449313805e-36], [-1.4694732412665468, 2.5452023142365783, 1.3105164664152763e-35], [9.310394582922328e-37, 1.7157622312303045e-35, 4.769416682638887]])
forces =  [[-3.01877602e-32  2.09146938e-32 -1.95958665e-32]
 [-3.01877602e-32  2.09146938e-32  1.95958665e-32]]
stress =  [-4.25792606e-11 -4.25792606e-11  1.28919774e-11 -9.47697337e-33
 -1.17247138e-33  4.89618648e-27]
energy per atom =  -4.136108480353115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0