element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6016']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6016, 0, 0], [0, 5.6016, 0], [0, 0, 5.6016]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:38     -273.898570       10.2829
BFGS:    1 13:54:38     -275.389223        9.5974
BFGS:    2 13:54:38     -276.771125        8.8180
BFGS:    3 13:54:38     -278.031552        7.9772
BFGS:    4 13:54:38     -279.161024        7.0713
BFGS:    5 13:54:38     -280.149494        6.0965
BFGS:    6 13:54:38     -280.986324        5.0487
BFGS:    7 13:54:38     -281.660247        3.9237
BFGS:    8 13:54:38     -282.159330        2.7168
BFGS:    9 13:54:38     -282.472366        1.4396
BFGS:   10 13:54:38     -282.585621        0.0547
BFGS:   11 13:54:38     -282.585778        0.0020
BFGS:   12 13:54:38     -282.585778        0.0000
BFGS:   13 13:54:38     -282.585778        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.9305785438265168e-29 eV/Angstrom
Maximum stress component: 1.1334151163044189e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[5.425882420033829, -6.595125488294194e-34, 6.581257480180262e-33], [-3.985816240424231e-32, 5.425882420033829, -1.5366834786185933e-17], [-1.951796595810232e-32, -1.5366834786185896e-17, 5.425882420033829]])
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]
 [-2.31847770e-30 -1.51592772e-30 -2.29618464e-30]
 [-5.99125847e-32 -2.00637493e-30  1.93057854e-29]
 [-2.99423592e-30 -2.67516657e-30 -1.56943106e-29]
 [-4.05875405e-62  6.68791643e-32  1.11465274e-29]
 [ 5.61784980e-30 -4.81529983e-30 -1.43567273e-29]
 [ 6.96657962e-32 -3.12102767e-31  4.63695539e-30]
 [-8.91722191e-32  3.56688876e-31  1.22611801e-29]
 [ 5.74324824e-30 -5.70702202e-30 -1.75836470e-30]]
stress =  [ 1.13341512e-11  1.13341512e-11  1.13341512e-11 -1.76426247e-27
 -6.51676241e-59 -6.50544312e-60]
energy per atom =  -17.661611115764803
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0