element(s):
['Al', 'Ni']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0211', '1.2156872', '0.64900192', '0.14827124']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ni']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35099808]
 [0.33333333 0.66666667 0.85172876]]
spacegroup =  164
cell =  [[4.0211, 0, 0], [-2.01055, 3.4823747511576, 0], [0, 0, 4.8884]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:53      -18.303362         1.454302
BFGS:    1 14:52:53      -18.378253         1.307617
BFGS:    2 14:52:53      -18.521130         1.055374
BFGS:    3 14:52:53      -18.623230         0.807622
BFGS:    4 14:52:53      -18.691869         0.579281
BFGS:    5 14:52:53      -18.734253         0.362787
BFGS:    6 14:52:53      -18.753242         0.222380
BFGS:    7 14:52:53      -18.756510         0.184102
BFGS:    8 14:52:53      -18.759820         0.112803
BFGS:    9 14:52:54      -18.762067         0.086675
BFGS:   10 14:52:54      -18.762745         0.063098
BFGS:   11 14:52:54      -18.763155         0.068944
BFGS:   12 14:52:54      -18.763914         0.076149
BFGS:   13 14:52:54      -18.764985         0.079683
BFGS:   14 14:52:54      -18.766027         0.061848
BFGS:   15 14:52:55      -18.766512         0.034800
BFGS:   16 14:52:55      -18.766623         0.021925
BFGS:   17 14:52:55      -18.766670         0.020766
BFGS:   18 14:52:55      -18.766779         0.017699
BFGS:   19 14:52:55      -18.766928         0.020009
BFGS:   20 14:52:55      -18.767060         0.013186
BFGS:   21 14:52:55      -18.767103         0.003863
BFGS:   22 14:52:55      -18.767109         0.000569
BFGS:   23 14:52:55      -18.767109         0.000037
BFGS:   24 14:52:55      -18.767109         0.000003
BFGS:   25 14:52:55      -18.767109         0.000001
BFGS:   26 14:52:55      -18.767109         0.000000
BFGS:   27 14:52:55      -18.767109         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.979698687715187e-09 eV/Angstrom
Maximum stress component: 3.120016983414336e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36493425]
 [0.66666667 0.33333333 0.63506575]
 [0.33333333 0.66666667 0.86118879]
 [0.66666667 0.33333333 0.13881121]]
cellpar =  Cell([[4.161951917817547, -5.979469037377903e-18, 3.626604112668257e-37], [-2.0809759589087733, 3.6043560901593614, 5.054307171689886e-37], [-4.8699032686265584e-36, -2.845360969360584e-36, 5.2433230039767125]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.55000301e-32  5.92361585e-32  5.97969869e-09]
 [ 8.55000301e-32 -5.92361585e-32 -5.97969869e-09]
 [ 1.02600036e-31 -1.18472317e-31 -3.53953328e-09]
 [-1.36800048e-31  1.18472317e-31  3.53953328e-09]]
stress =  [ 3.12001698e-10  3.12001698e-10 -5.50981354e-11 -7.77695499e-48
  2.29600515e-46  6.57198163e-26]
energy per atom =  -3.7534217486556107
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0