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_CaiYe_1996_AlCu__MO_942551040047_005
==== 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 16:35:34      -16.906348         0.848137
BFGS:    1 16:35:34      -16.929976         0.773135
BFGS:    2 16:35:34      -17.003609         0.489962
BFGS:    3 16:35:34      -17.043885         0.242194
BFGS:    4 16:35:34      -17.050694         0.137532
BFGS:    5 16:35:34      -17.051469         0.123087
BFGS:    6 16:35:34      -17.052540         0.083520
BFGS:    7 16:35:34      -17.053397         0.051791
BFGS:    8 16:35:34      -17.053805         0.051161
BFGS:    9 16:35:34      -17.054017         0.056901
BFGS:   10 16:35:34      -17.054306         0.052989
BFGS:   11 16:35:34      -17.054665         0.034842
BFGS:   12 16:35:34      -17.054915         0.020801
BFGS:   13 16:35:34      -17.054984         0.009795
BFGS:   14 16:35:34      -17.054991         0.005609
BFGS:   15 16:35:34      -17.054992         0.004785
BFGS:   16 16:35:34      -17.054995         0.003893
BFGS:   17 16:35:34      -17.054999         0.004353
BFGS:   18 16:35:34      -17.055005         0.003340
BFGS:   19 16:35:34      -17.055007         0.001310
BFGS:   20 16:35:34      -17.055008         0.000315
BFGS:   21 16:35:34      -17.055008         0.000033
BFGS:   22 16:35:34      -17.055008         0.000002
BFGS:   23 16:35:34      -17.055008         0.000000
BFGS:   24 16:35:34      -17.055008         0.000000
Minimization converged after 24 steps.
Maximum force component: 6.6874811144045944e-09 eV/Angstrom
Maximum stress component: 2.41945011106625e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35898914]
 [0.66666667 0.33333333 0.64101086]
 [0.33333333 0.66666667 0.85713881]
 [0.66666667 0.33333333 0.14286119]]
cellpar =  Cell([[4.22110552327125, -3.788089821680147e-18, -3.460814201640767e-38], [-2.110552761635625, 3.6555846152077107, -3.367560364565793e-36], [-4.380969533809221e-37, 1.233279873671648e-36, 5.212669742536189]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.03503332e-32 -3.00390395e-32 -6.68748111e-09]
 [-2.16788094e-32  1.50195197e-32  6.68748111e-09]
 [-1.78841030e-46  5.03452583e-46  2.12792903e-09]
 [ 1.78841030e-46 -5.03452583e-46 -2.12792903e-09]]
stress =  [-1.77445447e-11 -1.77445447e-11 -2.41945011e-11  1.40536984e-47
  9.48486990e-48  3.95867209e-27]
energy per atom =  -3.411001593490112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0