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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 14:52:53      -17.358522         0.825299
BFGS:    1 14:52:53      -17.376429         0.764987
BFGS:    2 14:52:53      -17.435817         0.516493
BFGS:    3 14:52:53      -17.469775         0.284353
BFGS:    4 14:52:53      -17.480813         0.087295
BFGS:    5 14:52:53      -17.481384         0.094135
BFGS:    6 14:52:54      -17.483698         0.119573
BFGS:    7 14:52:54      -17.486612         0.118438
BFGS:    8 14:52:54      -17.489403         0.075571
BFGS:    9 14:52:54      -17.490317         0.044396
BFGS:   10 14:52:54      -17.490587         0.041534
BFGS:   11 14:52:54      -17.490696         0.039166
BFGS:   12 14:52:54      -17.490889         0.044844
BFGS:   13 14:52:54      -17.491187         0.042856
BFGS:   14 14:52:54      -17.491468         0.028418
BFGS:   15 14:52:54      -17.491607         0.024457
BFGS:   16 14:52:54      -17.491653         0.021733
BFGS:   17 14:52:54      -17.491685         0.015534
BFGS:   18 14:52:54      -17.491710         0.006232
BFGS:   19 14:52:54      -17.491719         0.001477
BFGS:   20 14:52:54      -17.491720         0.000413
BFGS:   21 14:52:54      -17.491720         0.000056
BFGS:   22 14:52:54      -17.491720         0.000003
BFGS:   23 14:52:54      -17.491720         0.000000
BFGS:   24 14:52:54      -17.491720         0.000000
BFGS:   25 14:52:54      -17.491720         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.0399049860948539e-09 eV/Angstrom
Maximum stress component: 9.430144674704247e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36345895]
 [0.66666667 0.33333333 0.63654105]
 [0.33333333 0.66666667 0.85275375]
 [0.66666667 0.33333333 0.14724625]]
cellpar =  Cell([[4.1729755486457485, -1.4961395453719986e-17, -3.8155689545373145e-37], [-2.0864877743228742, 3.613902834498522, -2.0593065267234314e-37], [4.238485349010287e-37, -1.9985328868709872e-36, 5.290119956272261]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.14358948e-32  1.18786111e-31 -1.03990499e-09]
 [ 8.57264914e-32 -1.18786111e-31  1.03990499e-09]
 [-5.14578888e-47  2.42634513e-46 -6.42253970e-10]
 [ 5.14578888e-47 -2.42634513e-46  6.42253970e-10]]
stress =  [ 2.15897020e-11  2.15897020e-11 -9.43014467e-11  1.19232176e-46
  3.17115143e-47  8.37043274e-27]
energy per atom =  -3.4983440933229026
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0