element(s):
['Al', 'Pd']
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:
['4.2214', '1.2274127', '0.64555337', '0.15947185']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pd']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35444663]
 [0.33333333 0.66666667 0.84052815]]
spacegroup =  164
cell =  [[4.2214, 0, 0], [-2.1107, 3.6558396395356, 0], [0, 0, 5.1814]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:10      -17.168871         1.092181
BFGS:    1 15:52:10      -17.205770         1.009716
BFGS:    2 15:52:11      -17.305015         0.751346
BFGS:    3 15:52:11      -17.376251         0.502295
BFGS:    4 15:52:11      -17.420923         0.260813
BFGS:    5 15:52:11      -17.440419         0.165617
BFGS:    6 15:52:11      -17.442246         0.143781
BFGS:    7 15:52:11      -17.443667         0.116289
BFGS:    8 15:52:11      -17.446810         0.085953
BFGS:    9 15:52:11      -17.448755         0.071911
BFGS:   10 15:52:12      -17.449607         0.070737
BFGS:   11 15:52:12      -17.449945         0.060294
BFGS:   12 15:52:12      -17.450223         0.039340
BFGS:   13 15:52:12      -17.450416         0.014450
BFGS:   14 15:52:12      -17.450479         0.005383
BFGS:   15 15:52:12      -17.450484         0.000917
BFGS:   16 15:52:12      -17.450484         0.000349
BFGS:   17 15:52:13      -17.450484         0.000330
BFGS:   18 15:52:13      -17.450484         0.000298
BFGS:   19 15:52:13      -17.450484         0.000265
BFGS:   20 15:52:13      -17.450484         0.000318
BFGS:   21 15:52:13      -17.450484         0.000240
BFGS:   22 15:52:13      -17.450484         0.000081
BFGS:   23 15:52:13      -17.450484         0.000009
BFGS:   24 15:52:13      -17.450484         0.000001
BFGS:   25 15:52:13      -17.450484         0.000000
BFGS:   26 15:52:13      -17.450484         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.8361243167513212e-09 eV/Angstrom
Maximum stress component: 2.036812714476568e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.37036985]
 [0.66666667 0.33333333 0.62963015]
 [0.33333333 0.66666667 0.86122329]
 [0.66666667 0.33333333 0.13877671]]
cellpar =  Cell([[4.345097681383505, 2.981403786841457e-18, -1.3971456683428126e-36], [-2.1725488406917526, 3.762964974002978, 5.382827164796973e-37], [-2.449064876817761e-36, 1.600327071615259e-36, 5.414884275822062]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.42819904e-31 -6.18428324e-32 -1.83612432e-09]
 [-1.42819904e-31  6.18428324e-32  1.83612432e-09]
 [-1.78524880e-31 -6.18428324e-32  1.63087929e-09]
 [ 7.37935251e-46  1.23685665e-31 -1.63087929e-09]]
stress =  [ 2.03681271e-11  2.03681271e-11 -1.77829331e-11 -4.03282935e-34
 -2.29533575e-47 -8.04846095e-27]
energy per atom =  -3.490096883245161
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0