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 19:55:23      -79.407680         2.697867
BFGS:    1 19:55:23      -79.709158         2.516101
BFGS:    2 19:55:23      -80.068422         2.272686
BFGS:    3 19:55:23      -80.390571         2.021394
BFGS:    4 19:55:24      -80.674497         1.763266
BFGS:    5 19:55:24      -80.919273         1.499641
BFGS:    6 19:55:24      -81.124199         1.232195
BFGS:    7 19:55:24      -81.288831         0.962676
BFGS:    8 19:55:24      -81.412981         0.692679
BFGS:    9 19:55:25      -81.496667         0.423273
BFGS:   10 19:55:25      -81.540004         0.154615
BFGS:   11 19:55:25      -81.546679         0.000020
BFGS:   12 19:55:25      -81.546679         0.000000
Minimization converged after 12 steps.
Maximum force component: 9.693474864499084e-31 eV/Angstrom
Maximum stress component: 3.268911165780783e-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 2.26936711e-49]
 [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([[6.030119698948671, -3.6514636800180936e-32, 1.4699063819937844e-32], [-3.391830594532313e-32, 6.030119698948671, -5.555877586532459e-18], [3.59143282108883e-32, -5.555877586532436e-18, 6.030119698948671]])
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]
 [-5.88421797e-32  5.63646142e-31 -3.09695683e-31]
 [ 2.38465676e-31 -5.21837225e-31 -2.35368719e-31]
 [-8.36178343e-32  4.83125265e-31  5.76033970e-31]
 [ 2.66338287e-31 -6.22488322e-31  1.61041755e-31]
 [-1.17684359e-31  8.91923566e-31  6.19391365e-33]
 [-5.41967445e-32 -5.34225052e-31  2.02850672e-31]
 [ 1.54847841e-32 -3.91765038e-31 -5.88421797e-31]
 [-2.78726114e-31  9.69347486e-31 -6.27133757e-32]]
stress =  [-3.26891117e-10 -3.26891117e-10 -3.26891117e-10  4.41915537e-26
 -2.03385433e-33  4.21223233e-49]
energy per atom =  -5.09666742906255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0