element(s):
['Ni', 'Zr']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.9594']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Zr']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.9594, 0, 0], [0, 6.9594, 0], [0, 0, 6.9594]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:09     -137.438330         0.660389
BFGS:    1 16:17:09     -137.456428         0.618535
BFGS:    2 16:17:09     -137.532694         0.399030
BFGS:    3 16:17:09     -137.576369         0.184173
BFGS:    4 16:17:10     -137.588453         0.004565
BFGS:    5 16:17:10     -137.588461         0.000062
BFGS:    6 16:17:10     -137.588461         0.000000
BFGS:    7 16:17:10     -137.588461         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.8128865237182024e-31 eV/Angstrom
Maximum stress component: 8.041612055828164e-15 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', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.49381159e-34 2.04860374e-33 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.003881622306062, -1.7264838942705104e-33, 1.3913035885648657e-34], [-1.7631492227615375e-33, 7.003881622306062, 7.502289875340938e-19], [2.8779359408156725e-35, 7.502289875340938e-19, 7.003881622306062]])
forces =  [[ 2.51794393e-32  6.11500669e-32 -7.19412552e-33]
 [-1.65464887e-31  3.16541523e-31 -5.03588786e-32]
 [ 2.87765021e-31 -2.87765021e-32 -1.58270761e-31]
 [ 2.87765021e-32 -1.79853138e-32  7.91353807e-32]
 [ 1.87047263e-31  3.59706276e-32  4.49632845e-32]
 [-5.66537384e-32  2.15823765e-32  1.00717757e-31]
 [-1.43882510e-32  1.43882510e-31 -7.19412552e-32]
 [ 7.19412552e-33  5.03588786e-32  3.59706276e-32]
 [-1.79853138e-31  1.25897197e-31  1.07911883e-31]
 [ 1.81843128e-66 -7.19412552e-33  1.79853138e-33]
 [-1.94241389e-31 -2.44600268e-31 -1.43882510e-32]
 [ 2.17622297e-31 -1.70860481e-32 -1.43882510e-31]
 [ 2.87765021e-32 -2.87765021e-32 -6.29485983e-33]
 [ 7.19412552e-33  3.81288652e-31  3.95676903e-32]
 [ 1.51076636e-31 -4.31647531e-32  6.47471296e-32]
 [ 2.87765021e-32  2.15823765e-32  2.87765021e-32]
 [ 6.47471296e-32 -7.19412552e-32 -7.70607185e-51]
 [-1.00717757e-31 -1.72659012e-31 -7.91353807e-32]
 [-7.19412552e-33 -2.87765021e-32  6.47471296e-32]
 [-1.00717757e-31  2.58988519e-31 -1.43882510e-32]
 [ 2.87765021e-32 -8.63295062e-32  8.09339121e-32]
 [-1.51975902e-31 -1.72659012e-31 -1.29494259e-31]
 [ 9.94812669e-33 -2.79896446e-32  1.20501602e-31]
 [-8.63295062e-32 -8.85776704e-32 -1.51076636e-31]]
stress =  [-8.04161206e-15 -8.04161206e-15 -8.04161206e-15  3.01198937e-32
 -6.28178219e-35 -4.46115752e-52]
energy per atom =  -5.732852537551699
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0