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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== 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 11:15:51     -108.941282         0.369445
BFGS:    1 11:15:51     -108.986951         0.320338
BFGS:    2 11:15:51     -109.131687         0.220614
BFGS:    3 11:15:51     -109.134460         0.214260
BFGS:    4 11:15:51     -109.161940         0.124677
BFGS:    5 11:15:51     -109.168949         0.071937
BFGS:    6 11:15:51     -109.170572         0.058574
BFGS:    7 11:15:51     -109.173175         0.050020
BFGS:    8 11:15:51     -109.176474         0.045841
BFGS:    9 11:15:51     -109.179861         0.031142
BFGS:   10 11:15:51     -109.181285         0.012429
BFGS:   11 11:15:51     -109.181520         0.002186
BFGS:   12 11:15:51     -109.181530         0.000226
BFGS:   13 11:15:51     -109.181531         0.000021
BFGS:   14 11:15:51     -109.181531         0.000001
BFGS:   15 11:15:51     -109.181531         0.000000
BFGS:   16 11:15:51     -109.181531         0.000000
BFGS:   17 11:15:51     -109.181531         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.8366025821464003e-09 eV/Angstrom
Maximum stress component: 1.3199774689151462e-10 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 =  [[4.85870520e-37 8.20456053e-01 3.03894536e-01]
 [1.26537834e-37 1.79543947e-01 3.03894536e-01]
 [6.24986469e-37 8.20456053e-01 6.96105464e-01]
 [0.00000000e+00 1.79543947e-01 6.96105464e-01]
 [3.03894536e-01 1.00000000e+00 8.20456053e-01]
 [3.03894536e-01 7.14976407e-38 1.79543947e-01]
 [6.96105464e-01 1.00000000e+00 8.20456053e-01]
 [6.96105464e-01 0.00000000e+00 1.79543947e-01]
 [8.20456053e-01 3.03894536e-01 1.00000000e+00]
 [1.79543947e-01 3.03894536e-01 1.00000000e+00]
 [8.20456053e-01 6.96105464e-01 1.00000000e+00]
 [1.79543947e-01 6.96105464e-01 1.00000000e+00]
 [5.00000000e-01 3.20456053e-01 8.03894536e-01]
 [5.00000000e-01 6.79543947e-01 8.03894536e-01]
 [5.00000000e-01 3.20456053e-01 1.96105464e-01]
 [5.00000000e-01 6.79543947e-01 1.96105464e-01]
 [8.03894536e-01 5.00000000e-01 3.20456053e-01]
 [8.03894536e-01 5.00000000e-01 6.79543947e-01]
 [1.96105464e-01 5.00000000e-01 3.20456053e-01]
 [1.96105464e-01 5.00000000e-01 6.79543947e-01]
 [3.20456053e-01 8.03894536e-01 5.00000000e-01]
 [6.79543947e-01 8.03894536e-01 5.00000000e-01]
 [3.20456053e-01 1.96105464e-01 5.00000000e-01]
 [6.79543947e-01 1.96105464e-01 5.00000000e-01]
 [0.00000000e+00 1.00000000e+00 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.532447268821999, -1.1751173341498564e-37, 0.0], [-2.1077054558900427e-37, 7.532447268821999, 0.0], [0.0, 0.0, 7.532447268821999]])
forces =  [[-1.54740968e-32 -1.76736305e-09  1.83660258e-09]
 [ 1.69247934e-33  1.76736305e-09  1.83660258e-09]
 [ 4.94537912e-47 -1.76736305e-09 -1.83660258e-09]
 [-4.94537912e-47  1.76736305e-09 -1.83660258e-09]
 [ 1.83660258e-09 -2.86523550e-47 -1.76736305e-09]
 [ 1.83660258e-09 -2.86523550e-47  1.76736305e-09]
 [-1.83660258e-09  2.86523550e-47 -1.76736305e-09]
 [-1.83660258e-09  2.86523550e-47  1.76736305e-09]
 [-1.76736305e-09  1.83660258e-09 -1.54740968e-32]
 [ 1.76736305e-09  1.83660258e-09  0.00000000e+00]
 [-1.76736305e-09 -1.83660258e-09 -1.54740968e-32]
 [ 1.76736305e-09 -1.83660258e-09  0.00000000e+00]
 [-7.73704840e-33 -1.76736305e-09  1.83660258e-09]
 [-4.94537912e-47  1.76736305e-09  1.83660258e-09]
 [-7.73704840e-33 -1.76736305e-09 -1.83660258e-09]
 [-4.94537912e-47  1.76736305e-09 -1.83660258e-09]
 [ 1.83660258e-09  1.93426210e-33 -1.76736305e-09]
 [ 1.83660258e-09 -1.93426210e-33  1.76736305e-09]
 [-1.83660258e-09  3.86852420e-33 -1.76736305e-09]
 [-1.83660258e-09  2.86523550e-47  1.76736305e-09]
 [-1.76736305e-09  1.83660258e-09 -7.73704840e-33]
 [ 1.76736305e-09  1.83660258e-09  0.00000000e+00]
 [-1.76736305e-09 -1.83660258e-09 -7.73704840e-33]
 [ 1.76736305e-09 -1.83660258e-09  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.31997747e-10 -1.31997747e-10 -1.31997747e-10  0.00000000e+00
  0.00000000e+00 -3.62073724e-35]
energy per atom =  -4.199289640234816
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0