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 20:24:33      -68.262869        0.5032
BFGS:    1 20:24:33      -68.282276        0.2978
BFGS:    2 20:24:33      -68.296770        0.2397
BFGS:    3 20:24:33      -68.298601        0.2266
BFGS:    4 20:24:33      -68.306911        0.1075
BFGS:    5 20:24:34      -68.307758        0.0839
BFGS:    6 20:24:34      -68.308492        0.0625
BFGS:    7 20:24:34      -68.309160        0.0442
BFGS:    8 20:24:34      -68.309777        0.0370
BFGS:    9 20:24:34      -68.309995        0.0393
BFGS:   10 20:24:34      -68.310101        0.0373
BFGS:   11 20:24:34      -68.310254        0.0327
BFGS:   12 20:24:34      -68.310552        0.0399
BFGS:   13 20:24:34      -68.310937        0.0437
BFGS:   14 20:24:34      -68.311193        0.0252
BFGS:   15 20:24:34      -68.311257        0.0060
BFGS:   16 20:24:34      -68.311262        0.0004
BFGS:   17 20:24:34      -68.311262        0.0000
BFGS:   18 20:24:34      -68.311262        0.0000
BFGS:   19 20:24:34      -68.311262        0.0000
BFGS:   20 20:24:34      -68.311262        0.0000
Minimization converged after 20 steps.
Maximum force component: 8.92959964234356e-09 eV/Angstrom
Maximum stress component: 4.979405086816516e-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([[4.808758715074735, -3.6481205879044665e-19, -1.4510936745309092e-37], [-2.4043793575373673, 4.164507207924535, 6.243417397958625e-38], [-5.423149486301822e-39, 1.8834692037124587e-36, 7.802194916190382]])
forces =  [[-4.93937728e-32  8.55525241e-32 -8.92959964e-09]
 [ 6.20678594e-48 -2.15562750e-45 -8.92959964e-09]
 [-6.20678594e-48  2.15562750e-45  8.92959964e-09]
 [-3.95150183e-32  2.15563050e-45  8.92959964e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.87608920e-26  3.15254884e-09  9.61694773e-32]
 [-2.73018738e-09 -1.57627442e-09 -2.24395447e-31]
 [ 2.73018738e-09 -1.57627442e-09 -1.92338955e-31]
 [-9.87608920e-26 -3.15254884e-09 -6.41129848e-32]
 [ 2.73018738e-09  1.57627442e-09  6.41129848e-32]
 [-2.73018738e-09  1.57627442e-09  6.41129848e-32]]
stress =  [ 1.56410015e-10  1.56410015e-10  4.97940509e-10  2.78189973e-33
  4.38035606e-34 -4.61960041e-26]
energy per atom =  -5.6926052025625005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0