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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_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 11:08:09     -159.935599        8.6790
BFGS:    1 11:08:09     -161.218286        8.4194
BFGS:    2 11:08:09     -162.460134        8.1342
BFGS:    3 11:08:09     -163.657747        7.8410
BFGS:    4 11:08:09     -164.808731        7.5005
BFGS:    5 11:08:09     -165.906389        7.1297
BFGS:    6 11:08:09     -166.946013        6.7264
BFGS:    7 11:08:09     -167.922777        6.2970
BFGS:    8 11:08:09     -168.832268        5.8233
BFGS:    9 11:08:09     -169.667830        5.3109
BFGS:   10 11:08:09     -170.424022        4.7686
BFGS:   11 11:08:09     -171.095137        4.1721
BFGS:   12 11:08:09     -171.673353        3.5295
BFGS:   13 11:08:10     -172.151556        2.8381
BFGS:   14 11:08:10     -172.524159        2.1120
BFGS:   15 11:08:10     -172.781830        1.3142
BFGS:   16 11:08:10     -172.915523        0.4583
BFGS:   17 11:08:10     -172.933042        0.0251
BFGS:   18 11:08:10     -172.933093        0.0004
BFGS:   19 11:08:10     -172.933093        0.0000
BFGS:   20 11:08:10     -172.933093        0.0000
Minimization converged after 20 steps.
Maximum force component: 2.4586168797867278e-29 eV/Angstrom
Maximum stress component: 5.155417347174323e-13 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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.51739224e-35]
 [5.78860714e-50 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([[5.910124398730244, -1.1588571573285525e-33, -3.011951116144586e-34], [2.1804786500641732e-32, 5.910124398730244, -4.900871776186756e-18], [5.861583212991317e-34, -4.900871776186753e-18, 5.910124398730244]])
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]
 [ 2.33113304e-30 -2.17572417e-29 -1.20441874e-29]
 [ 1.17163718e-30  2.41308694e-29 -1.27605251e-29]
 [ 4.62584213e-30 -2.16601112e-29  1.50552342e-29]
 [ 4.85652717e-31  2.45861688e-29  1.35982761e-29]
 [-1.26269706e-30 -2.13687195e-29  1.77748894e-29]
 [ 1.09271861e-31  2.33424425e-29  2.29228082e-29]
 [ 1.94261087e-31  1.84525267e-29 -1.14189095e-29]
 [-4.80796190e-30 -2.14658501e-29 -1.32127892e-29]]
stress =  [-5.15541735e-13 -5.15541735e-13 -5.15541735e-13 -1.01095423e-30
  1.35963888e-62  6.09269628e-61]
energy per atom =  -10.808318336491055
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0