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 15:22:38      -16.906348         0.848137
BFGS:    1 15:22:38      -16.929976         0.773135
BFGS:    2 15:22:38      -17.003609         0.489962
BFGS:    3 15:22:38      -17.043885         0.242194
BFGS:    4 15:22:38      -17.050694         0.137532
BFGS:    5 15:22:38      -17.051469         0.123087
BFGS:    6 15:22:38      -17.052540         0.083520
BFGS:    7 15:22:38      -17.053397         0.051791
BFGS:    8 15:22:38      -17.053805         0.051161
BFGS:    9 15:22:38      -17.054017         0.056901
BFGS:   10 15:22:38      -17.054306         0.052989
BFGS:   11 15:22:38      -17.054665         0.034842
BFGS:   12 15:22:38      -17.054915         0.020801
BFGS:   13 15:22:38      -17.054984         0.009795
BFGS:   14 15:22:38      -17.054991         0.005609
BFGS:   15 15:22:38      -17.054992         0.004785
BFGS:   16 15:22:38      -17.054995         0.003893
BFGS:   17 15:22:38      -17.054999         0.004353
BFGS:   18 15:22:38      -17.055005         0.003340
BFGS:   19 15:22:38      -17.055007         0.001310
BFGS:   20 15:22:38      -17.055008         0.000315
BFGS:   21 15:22:38      -17.055008         0.000033
BFGS:   22 15:22:38      -17.055008         0.000002
BFGS:   23 15:22:38      -17.055008         0.000000
BFGS:   24 15:22:38      -17.055008         0.000000
Minimization converged after 24 steps.
Maximum force component: 6.687480654496198e-09 eV/Angstrom
Maximum stress component: 2.419468641315615e-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([[4.221105523271248, -3.743423358765323e-18, 4.525972400689707e-39], [-2.110552761635624, 3.6555846152077103, -6.355561713699734e-38], [-1.1539893635539732e-37, -8.957686043055551e-37, 5.212669742536189]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.04058285e-31 -6.00780789e-32 -6.68748065e-09]
 [-1.04058285e-31  6.00780789e-32  6.68748065e-09]
 [-8.67152376e-32  3.00390395e-32  2.12792983e-09]
 [ 6.93721901e-32 -6.00780789e-32 -2.12792983e-09]]
stress =  [-1.77448573e-11 -1.77448573e-11 -2.41946864e-11  5.82244797e-48
  2.84691438e-48  8.36071137e-27]
energy per atom =  -3.4110015934901137
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0