element(s):
['Al', 'Pd']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9161']
model name:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9161, 0, 0], [0, 5.9161, 0], [0, 0, 5.9161]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:57:06      -58.512476        0.2449
BFGS:    1 13:57:06      -58.514986        0.2332
BFGS:    2 13:57:06      -58.537360        0.0650
BFGS:    3 13:57:06      -58.539243        0.0001
BFGS:    4 13:57:06      -58.539243        0.0000
BFGS:    5 13:57:06      -58.539243        0.0000
Minimization converged after 5 steps.
Maximum force component: 4.248996631500472e-31 eV/Angstrom
Maximum stress component: 3.0565545851641194e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd', 'Pd']
basis =  [[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]
 [5.10515046e-65 7.50645205e-17 7.50645205e-17]
 [2.29915537e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50645205e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50645205e-17]]
cellpar =  Cell([[5.951992408722561, -1.421598388849759e-33, -2.0908493337655563e-34], [-2.2089531251697222e-32, 5.951992408722561, 1.1600135990473759e-18], [2.309574342182422e-33, 1.1600135990473765e-18, 5.951992408722561]])
forces =  [[ 1.51313189e-31  1.22273284e-31  1.52841605e-31]
 [-1.76532054e-31  2.10921416e-31 -7.33639706e-32]
 [-3.59177773e-32  1.31443781e-31  1.34500613e-31]
 [-1.32972197e-31  1.22273284e-31  2.53717065e-31]
 [ 1.90287799e-31 -1.00875460e-31 -1.22273284e-31]
 [ 4.43240656e-32 -4.00445006e-31  1.46727941e-31]
 [ 1.40614277e-31 -4.24899663e-31 -4.73808977e-32]
 [ 1.81881510e-31 -1.22273284e-31 -1.00875460e-31]
 [ 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]]
stress =  [-3.05655459e-11 -3.05655459e-11 -3.05655459e-11  1.23605216e-27
  4.05921927e-34 -3.51929351e-51]
energy per atom =  -4.878270277781458
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0