element(s):
['Ni', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6776', '0.6268355']
model name:
EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ni', 'Zr']
representative atom coordinates =  [[0.        0.        0.       ]
 [0.6268355 0.6268355 0.6268355]
 [0.25      0.25      0.25     ]]
spacegroup =  216
cell =  [[6.6776, 0, 0], [0, 6.6776, 0], [0, 0, 6.6776]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:10     -119.099191         0.705852
BFGS:    1 16:44:10     -119.172271         0.697260
BFGS:    2 16:44:10     -119.252627         0.674207
BFGS:    3 16:44:11     -119.287512         0.653208
BFGS:    4 16:44:11     -119.362711         0.603984
BFGS:    5 16:44:11     -119.436973         0.550626
BFGS:    6 16:44:11     -119.509465         0.493364
BFGS:    7 16:44:12     -119.578351         0.432362
BFGS:    8 16:44:12     -119.641716         0.390998
BFGS:    9 16:44:12     -119.697786         0.347392
BFGS:   10 16:44:13     -119.744925         0.291435
BFGS:   11 16:44:13     -119.781566         0.223537
BFGS:   12 16:44:13     -119.806074         0.142121
BFGS:   13 16:44:14     -119.816323         0.039712
BFGS:   14 16:44:14     -119.816661         0.018704
BFGS:   15 16:44:15     -119.816808         0.002352
BFGS:   16 16:44:15     -119.816813         0.000360
BFGS:   17 16:44:15     -119.816813         0.000035
BFGS:   18 16:44:16     -119.816813         0.000001
BFGS:   19 16:44:16     -119.816813         0.000000
Minimization converged after 19 steps.
Maximum force component: 2.7766874770667723e-09 eV/Angstrom
Maximum stress component: 7.214484485517873e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.62510253 0.62510253 0.62510253]
 [0.37489747 0.37489747 0.62510253]
 [0.37489747 0.62510253 0.37489747]
 [0.62510253 0.37489747 0.37489747]
 [0.62510253 0.12510253 0.12510253]
 [0.37489747 0.87489747 0.12510253]
 [0.37489747 0.12510253 0.87489747]
 [0.62510253 0.87489747 0.87489747]
 [0.12510253 0.62510253 0.12510253]
 [0.87489747 0.37489747 0.12510253]
 [0.87489747 0.62510253 0.87489747]
 [0.12510253 0.37489747 0.87489747]
 [0.12510253 0.12510253 0.62510253]
 [0.87489747 0.87489747 0.62510253]
 [0.87489747 0.12510253 0.37489747]
 [0.12510253 0.87489747 0.37489747]
 [0.25       0.25       0.25      ]
 [0.75       0.75       0.25      ]
 [0.75       0.25       0.75      ]
 [0.25       0.75       0.75      ]]
cellpar =  Cell([[6.833846295731043, -9.781225416850709e-33, -3.788296694601364e-33], [1.8371741705353237e-33, 6.833846295731043, -2.0098473894646126e-18], [1.4355824641374374e-33, -2.0098473894646203e-18, 6.833846295731043]])
forces =  [[-1.75486790e-33 -8.77433948e-34  2.58055018e-52]
 [ 1.75486790e-33 -2.58055018e-52  8.77433948e-34]
 [ 5.15624995e-68  8.77433948e-34 -8.77433948e-34]
 [ 7.37288335e-67 -1.03222007e-51  3.50973579e-33]
 [-2.77668748e-09 -2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09  2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09 -2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09  2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09 -2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09  2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09 -2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09  2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09 -2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09  2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09 -2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09  2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09 -2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09  2.77668748e-09 -2.77668748e-09]
 [ 2.77668748e-09 -2.77668748e-09  2.77668748e-09]
 [-2.77668748e-09  2.77668748e-09  2.77668748e-09]
 [-2.10584147e-31  2.42171770e-31 -3.50973579e-33]
 [-2.80778863e-32 -1.87770865e-31 -5.61557727e-32]
 [-1.40389432e-31  2.31642562e-31  8.46723760e-32]
 [ 1.54428375e-31 -1.43899167e-31 -3.07101882e-32]]
stress =  [-7.21448449e-10 -7.21448449e-10 -7.21448449e-10  9.51357249e-26
 -4.39884639e-35  2.04802344e-51]
energy per atom =  -4.9923672133891035
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0