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_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== 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 15:41:51     -120.705971         0.611500
BFGS:    1 15:41:51     -120.739325         0.606221
BFGS:    2 15:41:51     -120.804521         0.581241
BFGS:    3 15:41:51     -120.841094         0.555128
BFGS:    4 15:41:51     -120.902318         0.507626
BFGS:    5 15:41:51     -120.964055         0.455067
BFGS:    6 15:41:51     -121.024502         0.431510
BFGS:    7 15:41:51     -121.081376         0.404620
BFGS:    8 15:41:51     -121.132426         0.358835
BFGS:    9 15:41:51     -121.175515         0.296526
BFGS:   10 15:41:51     -121.208510         0.217748
BFGS:   11 15:41:51     -121.228982         0.118696
BFGS:   12 15:41:51     -121.234045         0.028145
BFGS:   13 15:41:51     -121.234294         0.013260
BFGS:   14 15:41:52     -121.234394         0.000192
BFGS:   15 15:41:52     -121.234394         0.000014
BFGS:   16 15:41:52     -121.234394         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.062928430243485e-09 eV/Angstrom
Maximum stress component: 1.2813379802585623e-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 =  [[1.28395330e-34 0.00000000e+00 3.85242774e-34]
 [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]
 [6.25600474e-01 6.25600474e-01 6.25600474e-01]
 [3.74399526e-01 3.74399526e-01 6.25600474e-01]
 [3.74399526e-01 6.25600474e-01 3.74399526e-01]
 [6.25600474e-01 3.74399526e-01 3.74399526e-01]
 [6.25600474e-01 1.25600474e-01 1.25600474e-01]
 [3.74399526e-01 8.74399526e-01 1.25600474e-01]
 [3.74399526e-01 1.25600474e-01 8.74399526e-01]
 [6.25600474e-01 8.74399526e-01 8.74399526e-01]
 [1.25600474e-01 6.25600474e-01 1.25600474e-01]
 [8.74399526e-01 3.74399526e-01 1.25600474e-01]
 [8.74399526e-01 6.25600474e-01 8.74399526e-01]
 [1.25600474e-01 3.74399526e-01 8.74399526e-01]
 [1.25600474e-01 1.25600474e-01 6.25600474e-01]
 [8.74399526e-01 8.74399526e-01 6.25600474e-01]
 [8.74399526e-01 1.25600474e-01 3.74399526e-01]
 [1.25600474e-01 8.74399526e-01 3.74399526e-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]]
cellpar =  Cell([[6.81758195852385, 4.830966507526788e-34, -3.015578488098547e-34], [-7.350113695971242e-33, 6.81758195852385, 3.2371362777206184e-18], [1.6290168045334386e-34, 3.2371362777206187e-18, 6.81758195852385]])
forces =  [[-6.12741978e-33 -7.22160188e-33 -7.00276546e-33]
 [-1.75069137e-33 -7.00276546e-33 -6.12741978e-33]
 [-7.00276546e-33 -3.06370989e-33 -3.50138273e-33]
 [-3.50138273e-33 -3.50138273e-33  3.50138273e-33]
 [-4.06292843e-09 -4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09  4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09 -4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09  4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09 -4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09  4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09 -4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09  4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09 -4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09  4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09 -4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09  4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09 -4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09  4.06292843e-09 -4.06292843e-09]
 [ 4.06292843e-09 -4.06292843e-09  4.06292843e-09]
 [-4.06292843e-09  4.06292843e-09  4.06292843e-09]
 [ 1.45307383e-31  2.24088495e-31  1.05041482e-31]
 [ 1.75069137e-31 -2.56476285e-31  1.40055309e-32]
 [-4.20165928e-31  1.89074667e-31 -6.39002348e-32]
 [ 2.45096791e-31 -2.01329507e-31 -1.75069137e-33]]
stress =  [-1.28133798e-10 -1.28133798e-10 -1.28133798e-10  8.95763643e-28
 -2.61742896e-60  2.59620745e-59]
energy per atom =  -5.051433103586613
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0