element(s):
['Al', 'Mn']
AFLOW prototype label:
A12B_cI26_204_g_a
Parameter names:
['a', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4821', '0.81540247', '0.3065872']
model name:
EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Mn']
representative atom coordinates =  [[0.         0.81540247 0.3065872 ]
 [0.         0.         0.        ]]
spacegroup =  204
cell =  [[7.4821, 0, 0], [0, 7.4821, 0], [0, 0, 7.4821]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 12:40:14     -108.941295        0.3694
BFGS:    1 12:40:14     -108.986947        0.3203
BFGS:    2 12:40:14     -109.131718        0.2208
BFGS:    3 12:40:14     -109.134495        0.2146
BFGS:    4 12:40:14     -109.161990        0.1249
BFGS:    5 12:40:14     -109.169018        0.0717
BFGS:    6 12:40:14     -109.170595        0.0585
BFGS:    7 12:40:14     -109.173294        0.0500
BFGS:    8 12:40:14     -109.176615        0.0454
BFGS:    9 12:40:14     -109.179968        0.0301
BFGS:   10 12:40:14     -109.181309        0.0115
BFGS:   11 12:40:14     -109.181516        0.0019
BFGS:   12 12:40:14     -109.181526        0.0002
BFGS:   13 12:40:14     -109.181526        0.0000
BFGS:   14 12:40:14     -109.181526        0.0000
BFGS:   15 12:40:14     -109.181526        0.0000
BFGS:   16 12:40:14     -109.181526        0.0000
Minimization converged after 16 steps.
Maximum force component: 9.123027932596377e-10 eV/Angstrom
Maximum stress component: 8.750862823083332e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mn', 'Mn']
basis =  [[0.00000000e+00 8.20456014e-01 3.03895084e-01]
 [0.00000000e+00 1.79543986e-01 3.03895084e-01]
 [0.00000000e+00 8.20456014e-01 6.96104916e-01]
 [1.01019046e-37 1.79543986e-01 6.96104916e-01]
 [3.03895084e-01 1.00000000e+00 8.20456014e-01]
 [3.03895084e-01 0.00000000e+00 1.79543986e-01]
 [6.96104916e-01 1.00000000e+00 8.20456014e-01]
 [6.96104916e-01 1.16875975e-37 1.79543986e-01]
 [8.20456014e-01 3.03895084e-01 1.00000000e+00]
 [1.79543986e-01 3.03895084e-01 1.00000000e+00]
 [8.20456014e-01 6.96104916e-01 1.00000000e+00]
 [1.79543986e-01 6.96104916e-01 1.00000000e+00]
 [5.00000000e-01 3.20456014e-01 8.03895084e-01]
 [5.00000000e-01 6.79543986e-01 8.03895084e-01]
 [5.00000000e-01 3.20456014e-01 1.96104916e-01]
 [5.00000000e-01 6.79543986e-01 1.96104916e-01]
 [8.03895084e-01 5.00000000e-01 3.20456014e-01]
 [8.03895084e-01 5.00000000e-01 6.79543986e-01]
 [1.96104916e-01 5.00000000e-01 3.20456014e-01]
 [1.96104916e-01 5.00000000e-01 6.79543986e-01]
 [3.20456014e-01 8.03895084e-01 5.00000000e-01]
 [6.79543986e-01 8.03895084e-01 5.00000000e-01]
 [3.20456014e-01 1.96104916e-01 5.00000000e-01]
 [6.79543986e-01 1.96104916e-01 5.00000000e-01]
 [4.61652896e-70 1.00000000e+00 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.532457392614813, -5.198825519809712e-37, 0.0], [-1.5443218591525223e-37, 7.532457392614813, 0.0], [0.0, 0.0, 7.532457392614813]])
forces =  [[ 1.93426470e-32 -3.09887512e-10  9.12302793e-10]
 [-6.35338555e-48  3.09887512e-10  9.12302793e-10]
 [-1.93426470e-32 -3.09887512e-10 -9.12302793e-10]
 [-1.54741176e-32  3.09887512e-10 -9.12302793e-10]
 [ 9.12302793e-10  1.93426470e-32 -3.09887512e-10]
 [ 9.12302793e-10  3.86852940e-33  3.09887512e-10]
 [-9.12302793e-10  2.70797058e-32 -3.09887512e-10]
 [-9.12302793e-10 -1.93426470e-32  3.09887512e-10]
 [-3.09887512e-10  9.12302793e-10  4.35209557e-33]
 [ 3.09887512e-10  9.12302793e-10  0.00000000e+00]
 [-3.09887512e-10 -9.12302793e-10  1.54741176e-32]
 [ 3.09887512e-10 -9.12302793e-10 -1.97657674e-32]
 [ 1.54741176e-32 -3.09887512e-10  9.12302793e-10]
 [-6.35338555e-48  3.09887512e-10  9.12302793e-10]
 [-1.16055882e-32 -3.09887512e-10 -9.12302793e-10]
 [-1.54741176e-32  3.09887512e-10 -9.12302793e-10]
 [ 9.12302793e-10 -7.73705880e-33 -3.09887512e-10]
 [ 9.12302793e-10 -5.31922792e-33  3.09887512e-10]
 [-9.12302793e-10 -7.73705880e-33 -3.09887512e-10]
 [-9.12302793e-10 -2.70797058e-32  3.09887512e-10]
 [-3.09887512e-10  9.12302793e-10  2.12769117e-32]
 [ 3.09887512e-10  9.12302793e-10 -3.86852940e-33]
 [-3.09887512e-10 -9.12302793e-10 -1.16055882e-32]
 [ 3.09887512e-10 -9.12302793e-10 -2.32111764e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-8.75086282e-11 -8.75086282e-11 -8.75086282e-11  0.00000000e+00
  0.00000000e+00  3.60478710e-64]
energy per atom =  -4.110640669788927
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0