element(s):
['Al', 'Ni', 'Ti']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8906']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8906, 0, 0], [0, 5.8906, 0], [0, 0, 5.8906]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:12      -68.975479         0.925232
BFGS:    1 17:12:12      -69.011544         0.893872
BFGS:    2 17:12:12      -69.136874         0.777901
BFGS:    3 17:12:12      -69.245126         0.666163
BFGS:    4 17:12:12      -69.336936         0.558680
BFGS:    5 17:12:12      -69.412943         0.455453
BFGS:    6 17:12:13      -69.473784         0.356462
BFGS:    7 17:12:13      -69.520091         0.261666
BFGS:    8 17:12:13      -69.552489         0.170999
BFGS:    9 17:12:13      -69.571592         0.084373
BFGS:   10 17:12:13      -69.577987         0.003781
BFGS:   11 17:12:14      -69.578000         0.000090
BFGS:   12 17:12:14      -69.578000         0.000000
BFGS:   13 17:12:14      -69.578000         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.3775398725881012e-31 eV/Angstrom
Maximum stress component: 1.9179294167631217e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti']
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]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.41100652e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.11650978e-50 7.94326056e-36 5.00000000e-01]]
cellpar =  Cell([[6.061521994021749, -2.7346714670907606e-33, 3.3917844715383506e-34], [-1.2497834174374672e-32, 6.061521994021749, 3.985316047546018e-19], [6.347961055843794e-34, 3.9853160475460416e-19, 6.061521994021749]])
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]
 [ 2.91182841e-32  4.04700980e-32  9.70893215e-32]
 [-8.79446359e-32 -3.28819546e-32 -5.87594691e-32]
 [ 2.78231923e-32  5.60355202e-32  7.43248914e-32]
 [-7.16009425e-32 -6.57639092e-32  8.79446359e-32]
 [ 1.86785067e-32  4.20266402e-32  4.43614535e-32]
 [ 3.11308446e-32 -8.19130348e-32 -4.98093513e-32]
 [-1.40088801e-32 -7.52247674e-32 -2.48073918e-32]
 [ 3.46330646e-32  9.33925337e-32 -1.37753987e-31]
 [ 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]]
stress =  [-1.91792942e-13 -1.91792942e-13 -1.91792942e-13  2.98450215e-31
  5.59121044e-35  4.36121231e-52]
energy per atom =  -4.34862501336458
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0