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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== 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 16:38:45      -25.432563         0.551738
BFGS:    1 16:38:45      -25.441582         0.508809
BFGS:    2 16:38:45      -25.477311         0.194526
BFGS:    3 16:38:45      -25.481401         0.135626
BFGS:    4 16:38:45      -25.482080         0.121779
BFGS:    5 16:38:45      -25.485605         0.052165
BFGS:    6 16:38:45      -25.485751         0.050496
BFGS:    7 16:38:45      -25.486012         0.027330
BFGS:    8 16:38:45      -25.486098         0.024467
BFGS:    9 16:38:45      -25.486155         0.024800
BFGS:   10 16:38:45      -25.486198         0.018996
BFGS:   11 16:38:45      -25.486240         0.011599
BFGS:   12 16:38:45      -25.486256         0.004479
BFGS:   13 16:38:45      -25.486258         0.000535
BFGS:   14 16:38:45      -25.486258         0.000081
BFGS:   15 16:38:45      -25.486258         0.000005
BFGS:   16 16:38:45      -25.486258         0.000000
BFGS:   17 16:38:45      -25.486258         0.000000
BFGS:   18 16:38:45      -25.486258         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.8948915378957064e-09 eV/Angstrom
Maximum stress component: 1.8462299485009397e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pd', 'Pd']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.34510633]
 [0.66666667 0.33333333 0.65489367]
 [0.33333333 0.66666667 0.83407646]
 [0.66666667 0.33333333 0.16592354]]
cellpar =  Cell([[4.207860004607099, -7.836289870559981e-18, -1.8695359703395166e-37], [-2.1039300023035494, 3.644113659558252, 7.427541041482159e-38], [-9.126896414886434e-37, -3.6522667059454456e-36, 5.069868083139985]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.42040768e-31  7.70593653e-46 -1.06906840e-09]
 [-3.45772526e-32 -7.70078507e-46  1.06906840e-09]
 [ 2.07463516e-31 -1.19779117e-31  1.89489154e-09]
 [-1.72886263e-31  1.19779117e-31 -1.89489154e-09]]
stress =  [-1.37078180e-10 -1.37078180e-10  1.84622995e-10 -2.57999616e-46
 -7.19773171e-47  4.91856574e-27]
energy per atom =  -5.097251569339579
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0