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:
EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_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 16:59:44      -58.399745         5.322173
BFGS:    1 16:59:44      -59.240805         5.872670
BFGS:    2 16:59:45      -60.155618         6.304666
BFGS:    3 16:59:45      -61.126058         6.613793
BFGS:    4 16:59:45      -62.133491         6.797677
BFGS:    5 16:59:46      -63.159071         6.856007
BFGS:    6 16:59:46      -64.184565         6.798789
BFGS:    7 16:59:46      -65.193216         6.631762
BFGS:    8 16:59:46      -66.168712         6.357127
BFGS:    9 16:59:47      -67.095090         5.977255
BFGS:   10 16:59:47      -67.957581         5.515451
BFGS:   11 16:59:47      -68.747956         5.017157
BFGS:   12 16:59:48      -69.461044         4.485154
BFGS:   13 16:59:48      -70.091852         3.920137
BFGS:   14 16:59:48      -70.635436         3.322124
BFGS:   15 16:59:48      -71.086815         2.690603
BFGS:   16 16:59:49      -71.441945         2.108725
BFGS:   17 16:59:49      -71.745170         1.934277
BFGS:   18 16:59:49      -72.022158         1.759150
BFGS:   19 16:59:50      -72.274024         1.603915
BFGS:   20 16:59:50      -72.504790         1.477880
BFGS:   21 16:59:50      -72.718889         1.381804
BFGS:   22 16:59:51      -72.914408         1.131935
BFGS:   23 16:59:51      -73.050744         0.691247
BFGS:   24 16:59:51      -73.123427         0.283448
BFGS:   25 16:59:52      -73.139094         0.019822
BFGS:   26 16:59:52      -73.139174         0.000669
BFGS:   27 16:59:52      -73.139174         0.000001
BFGS:   28 16:59:52      -73.139174         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.866023502721653e-31 eV/Angstrom
Maximum stress component: 1.687242062892139e-10 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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.36055658e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.55308422e-34 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 1.13379715e-49]
 [9.07037722e-49 5.00000000e-01 0.00000000e+00]
 [1.53062616e-48 2.55308422e-34 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([[6.034834047787805, -2.1524751084767397e-33, -1.156420741237804e-32], [4.834611995518072e-32, 6.034834047787805, -1.0316595855652874e-17], [-1.6838499705809024e-33, -1.0316595855652943e-17, 6.034834047787805]])
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]
 [ 1.19326054e-31  1.08478231e-31 -3.56428473e-31]
 [-3.87422253e-33 -1.14676987e-31 -2.51049620e-31]
 [ 9.45310298e-32  2.47950242e-32  3.99819766e-31]
 [ 3.71925363e-32 -1.36372633e-31  4.86602350e-31]
 [-3.40931583e-32 -6.97360056e-32  1.44121078e-31]
 [-3.56428473e-32 -5.88881825e-32  4.02919144e-31]
 [ 1.08478231e-32  1.23975121e-32 -2.13857084e-31]
 [-2.16956462e-32 -1.10027920e-31 -3.96720387e-31]]
stress =  [-1.68724206e-10 -1.68724206e-10 -1.68724206e-10 -1.49016291e-26
 -5.89211467e-59  5.09229431e-60]
energy per atom =  -4.571198404853908
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0