element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB2_hP12_194_f_ah
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '1.6366676', '0.56167626', '0.16738853']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni', 'Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.06167626]
 [0.         0.         0.        ]
 [0.83261147 0.66522294 0.25      ]]
spacegroup =  194
cell =  [[4.8146, 0, 0], [-2.4073, 4.1695659090606, 0], [0, 0, 7.8799]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:12:47      -68.262869         0.503214
BFGS:    1 14:12:47      -68.282276         0.297818
BFGS:    2 14:12:47      -68.296770         0.239737
BFGS:    3 14:12:47      -68.298601         0.226593
BFGS:    4 14:12:47      -68.306911         0.107518
BFGS:    5 14:12:47      -68.307758         0.083920
BFGS:    6 14:12:47      -68.308492         0.062546
BFGS:    7 14:12:47      -68.309160         0.044170
BFGS:    8 14:12:47      -68.309777         0.036953
BFGS:    9 14:12:48      -68.309995         0.039334
BFGS:   10 14:12:48      -68.310101         0.037326
BFGS:   11 14:12:48      -68.310254         0.032671
BFGS:   12 14:12:48      -68.310552         0.039860
BFGS:   13 14:12:48      -68.310937         0.043710
BFGS:   14 14:12:48      -68.311193         0.025229
BFGS:   15 14:12:48      -68.311257         0.006044
BFGS:   16 14:12:48      -68.311262         0.000412
BFGS:   17 14:12:48      -68.311262         0.000036
BFGS:   18 14:12:48      -68.311262         0.000003
BFGS:   19 14:12:48      -68.311262         0.000000
BFGS:   20 14:12:48      -68.311262         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.929598597877396e-09 eV/Angstrom
Maximum stress component: 4.979427412409879e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[3.33333330e-01 6.66666670e-01 6.30506417e-02]
 [6.66666663e-01 3.33333337e-01 5.63050642e-01]
 [6.66666663e-01 3.33333337e-01 9.36949358e-01]
 [3.33333330e-01 6.66666670e-01 4.36949358e-01]
 [9.99999997e-01 3.33333321e-09 7.04465174e-18]
 [9.99999997e-01 3.33333321e-09 5.00000000e-01]
 [8.30296287e-01 6.60592584e-01 2.50000000e-01]
 [3.39407416e-01 1.69703713e-01 2.50000000e-01]
 [8.30296287e-01 1.69703713e-01 2.50000000e-01]
 [1.69703707e-01 3.39407423e-01 7.50000000e-01]
 [6.60592577e-01 8.30296293e-01 7.50000000e-01]
 [1.69703707e-01 8.30296293e-01 7.50000000e-01]]
cellpar =  Cell([[4.808758715074738, -3.456392623800623e-19, 1.6316223293816265e-38], [-2.404379357537369, 4.164507207924538, 8.915377065038345e-38], [6.110048999987653e-40, -6.344638757557155e-37, 7.802194916190384]])
forces =  [[ 5.92725274e-32 -1.71105048e-31 -8.92959860e-09]
 [ 1.18545055e-31  6.84420193e-32 -8.92959860e-09]
 [-5.92725274e-32 -1.71105048e-31  8.92959860e-09]
 [ 8.27345695e-32  2.78045703e-32  8.92959860e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.24926952e-25  3.15257795e-09 -3.20564924e-32]
 [-2.73021260e-09 -1.57628898e-09  3.20564924e-32]
 [ 2.73021260e-09 -1.57628898e-09 -2.75694139e-47]
 [ 2.24926952e-25 -3.15257795e-09  3.20564924e-32]
 [ 2.73021260e-09  1.57628898e-09 -3.20564924e-32]
 [-2.73021260e-09  1.57628898e-09  6.41129848e-32]]
stress =  [ 1.56412688e-10  1.56412688e-10  4.97942741e-10  1.02740615e-34
  1.77951965e-34 -5.59804506e-26]
energy per atom =  -5.692605202562511
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0