element(s):
['Ni', 'Zr']
AFLOW prototype label:
A3B_hP8_194_h_c
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2527', '0.81788414', '0.84340279']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Zr']
representative atom coordinates =  [[0.84340279 0.68680558 0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.2527, 0, 0], [-2.62635, 4.5489716384585, 0], [0, 0, 4.2961]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:52      -43.512848         0.237579
BFGS:    1 15:55:52      -43.517959         0.189695
BFGS:    2 15:55:52      -43.528450         0.109199
BFGS:    3 15:55:52      -43.528689         0.102458
BFGS:    4 15:55:52      -43.530265         0.053704
BFGS:    5 15:55:52      -43.531582         0.055083
BFGS:    6 15:55:52      -43.532550         0.028694
BFGS:    7 15:55:53      -43.532760         0.024189
BFGS:    8 15:55:53      -43.532802         0.023775
BFGS:    9 15:55:53      -43.532841         0.021341
BFGS:   10 15:55:53      -43.532905         0.014211
BFGS:   11 15:55:53      -43.532961         0.007436
BFGS:   12 15:55:53      -43.532981         0.002786
BFGS:   13 15:55:53      -43.532983         0.000581
BFGS:   14 15:55:54      -43.532983         0.000050
BFGS:   15 15:55:54      -43.532983         0.000002
BFGS:   16 15:55:54      -43.532983         0.000000
BFGS:   17 15:55:54      -43.532983         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.8669410013184074e-10 eV/Angstrom
Maximum stress component: 1.1153088786003477e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr']
basis =  [[0.84200462 0.68400924 0.25      ]
 [0.31599078 0.1579954  0.25      ]
 [0.84200462 0.1579954  0.25      ]
 [0.15799539 0.31599078 0.75      ]
 [0.68400923 0.84200462 0.75      ]
 [0.15799539 0.84200462 0.75      ]
 [0.33333334 0.66666668 0.25      ]
 [0.66666667 0.33333334 0.75      ]]
cellpar =  Cell([[5.276543224385889, 3.0672191484944886e-18, -3.992150473805925e-39], [-2.6382716121929444, 4.569620476484833, 3.1250436754718163e-38], [-1.8548989006515246e-37, -1.6704376343625573e-36, 4.2532211147147505]])
forces =  [[-3.27250963e-26  1.86694100e-10  1.19520138e-48]
 [-1.61681833e-10 -9.33470501e-11 -4.75274731e-49]
 [ 1.61681833e-10 -9.33470501e-11 -7.19926648e-49]
 [-6.04899492e-27 -1.86694100e-10 -1.19520138e-48]
 [ 1.61681833e-10  9.33470501e-11  4.75274731e-49]
 [-1.61681833e-10  9.33470501e-11  7.19926648e-49]
 [ 4.33589444e-32  2.52042633e-50 -3.28047025e-71]
 [-2.81833139e-31  2.62849631e-31  1.89597384e-69]]
stress =  [-3.85038127e-11 -3.85038127e-11 -1.11530888e-10  2.64247645e-34
 -9.15380692e-35 -1.70229445e-27]
energy per atom =  -5.4416229366850075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0