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_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== 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 11:07:48      -79.407680        2.6979
BFGS:    1 11:07:48      -79.709158        2.5161
BFGS:    2 11:07:48      -80.068422        2.2727
BFGS:    3 11:07:48      -80.390571        2.0214
BFGS:    4 11:07:48      -80.674497        1.7633
BFGS:    5 11:07:48      -80.919273        1.4996
BFGS:    6 11:07:48      -81.124199        1.2322
BFGS:    7 11:07:48      -81.288831        0.9627
BFGS:    8 11:07:48      -81.412981        0.6927
BFGS:    9 11:07:48      -81.496667        0.4233
BFGS:   10 11:07:48      -81.540004        0.1546
BFGS:   11 11:07:48      -81.546679        0.0000
BFGS:   12 11:07:48      -81.546679        0.0000
Minimization converged after 12 steps.
Maximum force component: 5.952351019031068e-30 eV/Angstrom
Maximum stress component: 3.2689005075644443e-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]
 [5.67341778e-50 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 2.26936711e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.84659557e-68 6.38770055e-35 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([[6.030119698948672, 2.7488909965803715e-32, -8.190107190378428e-33], [-2.6872443175930723e-33, 6.030119698948672, 6.46236495456417e-18], [-6.382828069217954e-33, 6.4623649545641415e-18, 6.030119698948672]])
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]
 [-1.68474451e-30 -1.63519320e-30 -2.61383156e-30]
 [ 8.48566170e-31  1.05296532e-30 -5.01087614e-30]
 [-1.35646709e-30 -3.96410474e-31  4.70737438e-30]
 [ 1.70952017e-30  1.52989667e-30  3.36948903e-30]
 [-1.26355838e-30  9.91026184e-32  3.88977777e-30]
 [ 2.01921585e-30  1.04677141e-30  3.91455343e-30]
 [ 1.61041755e-30  1.25736447e-30 -5.95235102e-30]
 [-2.16167586e-30 -1.28833404e-30 -3.90216560e-30]]
stress =  [-3.26890051e-10 -3.26890051e-10 -3.26890051e-10 -6.00030943e-26
  1.41239884e-35  9.06822928e-52]
energy per atom =  -5.096667429062547
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0