element(s):
['Al', 'Mg', 'Si']
AFLOW prototype label:
A2BC2_hP5_164_d_a_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0801', '1.6376314', '0.63338121', '0.24334825']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Mg', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.36661879]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.75665175]]
spacegroup =  164
cell =  [[4.0801, 0, 0], [-2.04005, 3.5334702499809, 0], [0, 0, 6.6817]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:38:51      -14.915900        1.3409
BFGS:    1 11:38:51      -14.994905        1.2422
BFGS:    2 11:38:51      -15.168231        0.9690
BFGS:    3 11:38:51      -15.295223        0.6734
BFGS:    4 11:38:51      -15.376042        0.3601
BFGS:    5 11:38:51      -15.411002        0.1777
BFGS:    6 11:38:51      -15.413632        0.1570
BFGS:    7 11:38:51      -15.415560        0.1530
BFGS:    8 11:38:51      -15.422856        0.1591
BFGS:    9 11:38:51      -15.432097        0.1894
BFGS:   10 11:38:51      -15.443599        0.2582
BFGS:   11 11:38:51      -15.452900        0.3102
BFGS:   12 11:38:51      -15.458440        0.3137
BFGS:   13 11:38:51      -15.465871        0.2726
BFGS:   14 11:38:51      -15.472696        0.2082
BFGS:   15 11:38:51      -15.477426        0.1239
BFGS:   16 11:38:51      -15.479250        0.1013
BFGS:   17 11:38:51      -15.480339        0.1009
BFGS:   18 11:38:51      -15.481618        0.1095
BFGS:   19 11:38:51      -15.483850        0.0812
BFGS:   20 11:38:51      -15.484858        0.0331
BFGS:   21 11:38:51      -15.485098        0.0073
BFGS:   22 11:38:51      -15.485111        0.0007
BFGS:   23 11:38:51      -15.485112        0.0000
BFGS:   24 11:38:51      -15.485112        0.0000
BFGS:   25 11:38:51      -15.485112        0.0000
BFGS:   26 11:38:51      -15.485112        0.0000
BFGS:   27 11:38:51      -15.485112        0.0000
Minimization converged after 27 steps.
Maximum force component: 7.685166447553281e-10 eV/Angstrom
Maximum stress component: 1.0500374753481113e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Mg', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 3.98547295e-01]
 [6.66666663e-01 3.33333337e-01 6.01452705e-01]
 [9.99999997e-01 3.33333340e-09 1.32927013e-16]
 [3.33333330e-01 6.66666670e-01 7.81363134e-01]
 [6.66666663e-01 3.33333337e-01 2.18636866e-01]]
cellpar =  Cell([[3.999636783372353, 1.326803761158184e-17, -8.512224320755096e-37], [-1.9998183916861765, 3.4637870603111316, -1.212075704532856e-37], [-1.337789360161817e-36, -1.4804111750226293e-35, 7.37904348577119]])
forces =  [[ 5.25859516e-31 -2.27703850e-31 -6.29229837e-10]
 [-5.25859516e-31  2.27703850e-31  6.29229837e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.31464879e-31  1.13851925e-31 -7.68516645e-10]
 [-1.97197318e-31 -1.54248087e-45  7.68516645e-10]]
stress =  [-2.72419804e-12 -2.72419804e-12 -1.05003748e-11  2.54571492e-47
  8.55748617e-48  9.78446912e-28]
energy per atom =  -3.0970223264502414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0