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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== 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 18:51:24      -79.407668         2.698622
BFGS:    1 18:51:25      -79.709218         2.515813
BFGS:    2 18:51:25      -80.068500         2.272666
BFGS:    3 18:51:25      -80.390638         2.020668
BFGS:    4 18:51:25      -80.674552         1.762991
BFGS:    5 18:51:25      -80.919366         1.499320
BFGS:    6 18:51:25      -81.124197         1.232935
BFGS:    7 18:51:25      -81.288831         0.962726
BFGS:    8 18:51:25      -81.412986         0.691877
BFGS:    9 18:51:25      -81.496712         0.423888
BFGS:   10 18:51:25      -81.539972         0.154839
BFGS:   11 18:51:26      -81.546704         0.000304
BFGS:   12 18:51:26      -81.546704         0.000018
BFGS:   13 18:51:26      -81.546704         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.096943266558503e-31 eV/Angstrom
Maximum stress component: 3.2101539908999485e-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 5.67344262e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [7.09180327e-51 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([[6.030093297754613, 5.845960909203983e-33, -1.0796587811762533e-34], [7.002222025667651e-33, 6.030093297754613, 4.443675620170257e-19], [1.078371181421073e-34, 4.44367562017026e-19, 6.030093297754613]])
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]
 [ 8.67144115e-32  2.02849784e-31 -3.56148476e-32]
 [ 4.33572057e-32  5.49707430e-32 -8.74886473e-32]
 [ 1.22329259e-31  1.99752841e-31  3.71633192e-32]
 [ 2.32270745e-32 -5.88419221e-32  1.08393014e-31]
 [ 3.09694327e-33  2.04398256e-31  3.00403497e-31]
 [-4.14216162e-32 -1.25039084e-31  1.50201748e-31]
 [-6.96812235e-32 -8.20689966e-32 -3.09694327e-31]
 [ 2.51626640e-32  2.57046291e-31 -1.40136683e-31]]
stress =  [ 3.21015399e-10  3.21015399e-10  3.21015399e-10 -1.42883353e-30
  7.51091643e-60  7.07561020e-59]
energy per atom =  -5.07063520207572
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0