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_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_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 18:11:27      -25.432554        0.5515
BFGS:    1 18:11:27      -25.441572        0.5089
BFGS:    2 18:11:28      -25.477316        0.1945
BFGS:    3 18:11:28      -25.481409        0.1363
BFGS:    4 18:11:28      -25.482089        0.1210
BFGS:    5 18:11:28      -25.485589        0.0502
BFGS:    6 18:11:28      -25.485752        0.0506
BFGS:    7 18:11:28      -25.485970        0.0338
BFGS:    8 18:11:28      -25.486085        0.0279
BFGS:    9 18:11:28      -25.486147        0.0252
BFGS:   10 18:11:28      -25.486190        0.0211
BFGS:   11 18:11:28      -25.486232        0.0124
BFGS:   12 18:11:28      -25.486254        0.0060
BFGS:   13 18:11:28      -25.486258        0.0011
BFGS:   14 18:11:28      -25.486258        0.0002
BFGS:   15 18:11:28      -25.486258        0.0000
BFGS:   16 18:11:28      -25.486258        0.0000
BFGS:   17 18:11:28      -25.486258        0.0000
BFGS:   18 18:11:28      -25.486258        0.0000
BFGS:   19 18:11:28      -25.486258        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.709954580546031e-09 eV/Angstrom
Maximum stress component: 9.297574621136507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34510705]
 [0.66666667 0.33333333 0.65489295]
 [0.33333333 0.66666667 0.83407489]
 [0.66666667 0.33333333 0.16592511]]
cellpar =  Cell([[4.207899813624458, -3.968728462217766e-18, -2.4141930428001347e-38], [-2.103949906812229, 3.6441481351785865, 6.753095937425867e-38], [-1.3398857611809732e-36, -1.2678786294472399e-36, 5.069924491498568]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.99581799e-47  9.45863027e-47 -3.78226592e-10]
 [-9.99581799e-47 -9.45863027e-47  3.78226592e-10]
 [ 2.93909428e-31 -1.49725312e-31  1.70995458e-09]
 [-2.76620638e-31  1.19780250e-31 -1.70995458e-09]]
stress =  [-8.89287417e-11 -8.89287417e-11  9.29757462e-11  2.20375593e-47
 -7.14069479e-48 -1.99173070e-26]
energy per atom =  -5.037973733122763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0