element(s):
['Al', 'Mn', 'Pd']
AFLOW prototype label:
ABC2_cF16_225_a_b_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.2316']
model name:
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Mn', 'Pd']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.2316, 0, 0], [0, 6.2316, 0], [0, 0, 6.2316]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:08:12      -79.407668        2.6986
BFGS:    1 11:08:12      -79.709218        2.5158
BFGS:    2 11:08:13      -80.068500        2.2727
BFGS:    3 11:08:13      -80.390638        2.0207
BFGS:    4 11:08:13      -80.674552        1.7630
BFGS:    5 11:08:13      -80.919366        1.4993
BFGS:    6 11:08:13      -81.124197        1.2329
BFGS:    7 11:08:13      -81.288831        0.9627
BFGS:    8 11:08:13      -81.412986        0.6919
BFGS:    9 11:08:13      -81.496712        0.4239
BFGS:   10 11:08:13      -81.539972        0.1548
BFGS:   11 11:08:13      -81.546704        0.0003
BFGS:   12 11:08:13      -81.546704        0.0000
BFGS:   13 11:08:13      -81.546704        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.1900004501751049e-30 eV/Angstrom
Maximum stress component: 3.2101581394731544e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Mn', 'Mn', 'Mn', 'Mn', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.77295082e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.030093297754614, 5.4062990714163133e-33, -1.8703834020574067e-34], [6.843791194136184e-33, 6.030093297754614, 6.1723516248554015e-19], [3.3038473840650536e-34, 6.172351624855412e-19, 6.030093297754614]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.88913539e-31 -6.19388653e-33  1.19000045e-30]
 [ 7.74235817e-32 -1.05296071e-31  7.78881232e-31]
 [-2.57046291e-31  3.87117908e-32 -7.15393895e-31]
 [ 1.22329259e-31 -1.81945417e-31 -1.02508822e-30]
 [-1.11489958e-31  2.78724894e-31 -4.42862887e-31]
 [ 1.09941486e-31 -1.67234936e-31 -9.19792150e-31]
 [ 1.11489958e-31 -2.58594763e-31  5.43513543e-31]
 [-1.00650656e-31  2.50852405e-31  8.85725774e-31]]
stress =  [3.21015814e-10 3.21015814e-10 3.21015814e-10 2.00639584e-27
 3.67226914e-34 6.53855937e-52]
energy per atom =  -5.070635202075726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0