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 16:35:22      -58.399745         5.322173
BFGS:    1 16:35:22      -59.240805         5.872670
BFGS:    2 16:35:22      -60.155618         6.304666
BFGS:    3 16:35:22      -61.126058         6.613793
BFGS:    4 16:35:22      -62.133491         6.797677
BFGS:    5 16:35:22      -63.159071         6.856007
BFGS:    6 16:35:22      -64.184565         6.798789
BFGS:    7 16:35:22      -65.193216         6.631762
BFGS:    8 16:35:22      -66.168712         6.357127
BFGS:    9 16:35:22      -67.095090         5.977255
BFGS:   10 16:35:22      -67.957581         5.515451
BFGS:   11 16:35:22      -68.747956         5.017157
BFGS:   12 16:35:22      -69.461044         4.485154
BFGS:   13 16:35:22      -70.091852         3.920137
BFGS:   14 16:35:22      -70.635436         3.322124
BFGS:   15 16:35:22      -71.086815         2.690603
BFGS:   16 16:35:22      -71.441945         2.108725
BFGS:   17 16:35:22      -71.745170         1.934277
BFGS:   18 16:35:22      -72.022158         1.759150
BFGS:   19 16:35:22      -72.274024         1.603915
BFGS:   20 16:35:22      -72.504790         1.477880
BFGS:   21 16:35:22      -72.718889         1.381804
BFGS:   22 16:35:22      -72.914408         1.131935
BFGS:   23 16:35:22      -73.050744         0.691247
BFGS:   24 16:35:22      -73.123427         0.283448
BFGS:   25 16:35:22      -73.139094         0.019822
BFGS:   26 16:35:23      -73.139174         0.000669
BFGS:   27 16:35:23      -73.139174         0.000001
BFGS:   28 16:35:23      -73.139174         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.209405947177244e-30 eV/Angstrom
Maximum stress component: 1.6872275400344018e-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]
 [2.26759430e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.82962632e-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 1.81407544e-48 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.13379715e-49 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([[6.034834047787806, -3.6222985321900585e-32, 1.4741598414025356e-32], [-1.2133805858582854e-32, 6.034834047787806, 9.944033694215367e-18], [-8.668676797718787e-33, 9.944033694215373e-18, 6.034834047787806]])
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]
 [ 4.95900484e-32  1.48770145e-30  1.86272619e-30]
 [-2.32453352e-31 -2.52599309e-30  2.40976642e-30]
 [-2.71195577e-31  1.43811140e-30 -1.56208653e-30]
 [-4.09117900e-31 -2.33383165e-30 -2.46710491e-30]
 [ 2.35552730e-31  1.88442184e-30 -2.78944022e-30]
 [ 2.41751486e-31 -1.73100263e-30 -2.25634720e-30]
 [-3.71925363e-32 -2.13082239e-30  2.15096835e-30]
 [ 4.57545681e-31  2.23155218e-30  3.20940595e-30]]
stress =  [-1.68722754e-10 -1.68722754e-10 -1.68722754e-10  1.76969596e-27
 -4.01905005e-34 -1.05329929e-50]
energy per atom =  -4.571198404853892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0