element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233', '3.4789978', '0.65461215']
model name:
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.65461215]]
spacegroup =  139
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 11.2476]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:14:16      -32.833453         0.943931
BFGS:    1 13:14:16      -32.881462         0.814512
BFGS:    2 13:14:17      -32.997605         0.348599
BFGS:    3 13:14:17      -33.024893         0.168976
BFGS:    4 13:14:17      -33.025769         0.167952
BFGS:    5 13:14:17      -33.028077         0.138938
BFGS:    6 13:14:17      -33.029891         0.086495
BFGS:    7 13:14:17      -33.030804         0.041821
BFGS:    8 13:14:17      -33.030975         0.034514
BFGS:    9 13:14:17      -33.031047         0.033773
BFGS:   10 13:14:17      -33.031259         0.029490
BFGS:   11 13:14:17      -33.031599         0.032438
BFGS:   12 13:14:17      -33.032007         0.030458
BFGS:   13 13:14:17      -33.032207         0.013547
BFGS:   14 13:14:17      -33.032245         0.001895
BFGS:   15 13:14:17      -33.032247         0.000160
BFGS:   16 13:14:17      -33.032247         0.000008
BFGS:   17 13:14:17      -33.032247         0.000000
BFGS:   18 13:14:17      -33.032247         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.966385090027399e-09 eV/Angstrom
Maximum stress component: 1.5390859031260183e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [9.77059333e-34 0.00000000e+00 6.45093266e-01]
 [0.00000000e+00 4.76488602e-34 3.54906734e-01]
 [5.00000000e-01 5.00000000e-01 1.45093266e-01]
 [5.00000000e-01 5.00000000e-01 8.54906734e-01]]
cellpar =  Cell([[3.233537903683859, -8.829438027575888e-36, -1.9340453617041043e-32], [-2.7632152274894805e-36, 3.2335379036838594, 6.210390891501833e-18], [-8.299292473631638e-33, 2.1348353853090545e-17, 11.354430710399795]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.49102699e-33  3.69715451e-27  1.96638509e-09]
 [ 4.98205398e-33 -3.69715451e-27 -1.96638509e-09]
 [-4.98205398e-33  3.69715451e-27  1.96638509e-09]
 [ 4.98205398e-33 -3.69715451e-27 -1.96638509e-09]]
stress =  [-5.79985832e-12 -5.79985832e-12 -1.53908590e-10  3.35306586e-26
 -1.25894977e-34  2.79543004e-50]
energy per atom =  -5.505374420591877
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0