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_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
==== 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 13:53:20      -72.453000        0.3244
BFGS:    1 13:53:20      -72.457455        0.3166
BFGS:    2 13:53:20      -72.498665        0.2328
BFGS:    3 13:53:20      -72.527054        0.1475
BFGS:    4 13:53:20      -72.542607        0.0594
BFGS:    5 13:53:20      -72.545521        0.0020
BFGS:    6 13:53:20      -72.545525        0.0000
BFGS:    7 13:53:20      -72.545525        0.0000
BFGS:    8 13:53:20      -72.545525        0.0000
Minimization converged after 8 steps.
Maximum force component: 3.4926488273407776e-31 eV/Angstrom
Maximum stress component: 1.3538068910678667e-14 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]
 [2.86747639e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.35936480e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.01839620e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.41471696e-49 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([[5.667146729427147, -1.8123012868357175e-33, 4.292351613191007e-33], [1.4499669301661911e-33, 5.667146729427147, -1.029097746151319e-17], [-2.0641312303032644e-32, -1.029097746151316e-17, 5.667146729427147]])
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]
 [-4.36581103e-32  2.32843255e-32 -3.15793665e-31]
 [-1.06234735e-31  6.40318952e-32 -1.10600546e-31]
 [-1.08417641e-31  1.16421628e-31 -9.89583834e-32]
 [-7.56740579e-32  1.10600546e-31  3.49264883e-31]
 [ 1.86274604e-31 -1.33884872e-31  1.39705953e-31]
 [ 6.54871655e-32 -1.38250683e-31  3.08517313e-31]
 [ 7.85845986e-32 -1.86274604e-31 -1.70994266e-32]
 [ 1.85183151e-31 -2.15380011e-31 -2.53944675e-31]]
stress =  [ 1.35380689e-14  1.35380689e-14  1.35380689e-14  2.99834758e-30
 -6.39646893e-35 -7.07805354e-51]
energy per atom =  -4.5340952991153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0