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 14:55:02     -137.438330        0.6604
BFGS:    1 14:55:02     -137.456428        0.6185
BFGS:    2 14:55:02     -137.532694        0.3990
BFGS:    3 14:55:02     -137.576369        0.1842
BFGS:    4 14:55:03     -137.588453        0.0046
BFGS:    5 14:55:03     -137.588461        0.0001
BFGS:    6 14:55:03     -137.588461        0.0000
BFGS:    7 14:55:03     -137.588461        0.0000
Minimization converged after 7 steps.
Maximum force component: 3.5251215030602244e-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 1.68706551e-33]
 [5.77776488e-34 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 1.75987435e-33]
 [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, -1.7544325696091883e-33, -4.3637191206918084e-33], [1.7567073046051962e-33, 7.003881622306062, 6.909638046874671e-19], [4.423974960604711e-34, 6.909638046874619e-19, 7.003881622306062]])
forces =  [[ 1.79853138e-32  2.08629640e-31  1.00717757e-31]
 [-3.52512150e-31  4.31647531e-32  2.87765021e-32]
 [ 7.19412552e-32 -2.87765021e-32  7.19412552e-32]
 [ 8.63295062e-32  3.30929774e-31 -7.91353807e-32]
 [ 2.15823765e-32 -1.47479573e-31 -1.79853138e-31]
 [-1.07012617e-31  2.87765021e-32 -1.92442858e-31]
 [ 4.31647531e-32  2.30212017e-31 -3.09347397e-31]
 [ 5.03588786e-32  1.87047263e-31  1.13307477e-31]
 [-1.72659012e-31 -6.83441924e-32 -6.74245594e-51]
 [-1.51076636e-31 -2.24816422e-32 -1.25897197e-31]
 [-1.72659012e-31 -1.43882510e-32 -1.43882510e-32]
 [ 1.61867824e-32  5.12581443e-32 -7.91353807e-32]
 [ 6.13465483e-65  2.15823765e-31  1.14206743e-31]
 [ 6.83441924e-32 -1.11508946e-31 -1.79853138e-31]
 [ 7.19412552e-33 -3.02153272e-31  2.08629640e-31]
 [ 2.87765021e-32  2.51794393e-31  1.43882510e-32]
 [ 9.35236317e-32 -1.07911883e-31  4.31647531e-32]
 [-7.19412552e-32 -7.91353807e-32 -9.35236317e-32]
 [ 1.22300134e-31 -2.15823765e-31  3.59706276e-32]
 [-3.59706276e-32  2.15823765e-32  2.87765021e-32]
 [ 2.87765021e-32 -1.51076636e-31  5.48552071e-32]
 [ 6.29485983e-33 -1.22300134e-31  1.43882510e-32]
 [ 9.94812669e-33 -3.73195261e-32  9.17251003e-32]
 [ 2.87765021e-32 -5.89019027e-32 -7.19412552e-33]]
stress =  [-8.04161206e-15 -8.04161206e-15 -8.04161206e-15  3.57246420e-30
 -6.28178219e-35  1.39536561e-50]
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