element(s):
['Al', 'Cu']
AFLOW prototype label:
A3B2_hP5_164_ad_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:
['4.1367', '1.2167912', '0.6472319', '0.1573935']
model name:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Cu']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.3527681 ]
 [0.33333333 0.66666667 0.8426065 ]]
spacegroup =  164
cell =  [[4.1367, 0, 0], [-2.06835, 3.5824872878351, 0], [0, 0, 5.0335]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:38:26      -17.538804         0.750547
BFGS:    1 17:38:26      -17.569292         0.687924
BFGS:    2 17:38:26      -17.672588         0.415697
BFGS:    3 17:38:26      -17.723386         0.302376
BFGS:    4 17:38:26      -17.734605         0.256761
BFGS:    5 17:38:26      -17.737663         0.199888
BFGS:    6 17:38:27      -17.740979         0.086748
BFGS:    7 17:38:27      -17.741879         0.062127
BFGS:    8 17:38:27      -17.742179         0.058545
BFGS:    9 17:38:27      -17.742431         0.058537
BFGS:   10 17:38:27      -17.742762         0.039982
BFGS:   11 17:38:27      -17.742953         0.014005
BFGS:   12 17:38:27      -17.743002         0.009372
BFGS:   13 17:38:27      -17.743009         0.010168
BFGS:   14 17:38:27      -17.743014         0.011430
BFGS:   15 17:38:27      -17.743026         0.012190
BFGS:   16 17:38:27      -17.743043         0.010115
BFGS:   17 17:38:27      -17.743057         0.004835
BFGS:   18 17:38:27      -17.743061         0.001297
BFGS:   19 17:38:27      -17.743062         0.000182
BFGS:   20 17:38:27      -17.743062         0.000018
BFGS:   21 17:38:27      -17.743062         0.000001
BFGS:   22 17:38:27      -17.743062         0.000000
BFGS:   23 17:38:27      -17.743062         0.000000
Minimization converged after 23 steps.
Maximum force component: 6.468512377209161e-10 eV/Angstrom
Maximum stress component: 6.3584898711150835e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.33501651]
 [0.66666667 0.33333333 0.66498349]
 [0.33333333 0.66666667 0.82702454]
 [0.66666667 0.33333333 0.17297546]]
cellpar =  Cell([[4.2610620741989935, 8.806227779768244e-18, -2.3389715031652853e-36], [-2.1305310370994968, 3.6901880033587418, -4.162155314827582e-37], [4.283592943787191e-37, -6.186261881597467e-37, 5.14763685797234]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.18840188e-33 -3.79042324e-33 -6.46851238e-10]
 [ 1.09420094e-33  1.89521162e-33  6.46851238e-10]
 [ 8.75360751e-33 -1.51616930e-32  3.88064613e-10]
 [-2.62608225e-32 -1.51616930e-32 -3.88064613e-10]]
stress =  [-6.27647291e-12 -6.27647291e-12  6.35848987e-12  5.79676933e-48
  5.33544036e-48  1.02498653e-27]
energy per atom =  -3.5486123293533183
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0