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 13:48:09      -32.833453        0.9439
BFGS:    1 13:48:09      -32.881462        0.8145
BFGS:    2 13:48:09      -32.997605        0.3486
BFGS:    3 13:48:09      -33.024893        0.1690
BFGS:    4 13:48:09      -33.025769        0.1680
BFGS:    5 13:48:09      -33.028077        0.1389
BFGS:    6 13:48:09      -33.029891        0.0865
BFGS:    7 13:48:09      -33.030804        0.0418
BFGS:    8 13:48:09      -33.030975        0.0345
BFGS:    9 13:48:09      -33.031047        0.0338
BFGS:   10 13:48:09      -33.031259        0.0295
BFGS:   11 13:48:09      -33.031599        0.0324
BFGS:   12 13:48:09      -33.032007        0.0305
BFGS:   13 13:48:09      -33.032207        0.0135
BFGS:   14 13:48:09      -33.032245        0.0019
BFGS:   15 13:48:09      -33.032247        0.0002
BFGS:   16 13:48:09      -33.032247        0.0000
BFGS:   17 13:48:09      -33.032247        0.0000
BFGS:   18 13:48:09      -33.032247        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.966388015292953e-09 eV/Angstrom
Maximum stress component: 1.5390834155830566e-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]
 [0.00000000e+00 1.90595441e-33 6.45093266e-01]
 [2.15303545e-34 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, -2.536985988624355e-36, 8.440798020785394e-33], [1.288327258975342e-37, 3.2335379036838594, 3.6869124957301125e-18], [-2.5100066845014263e-32, 1.2937709273117485e-17, 11.354430710399798]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.96410796e-33  2.24060399e-27  1.96638802e-09]
 [-9.96410796e-33 -2.24062392e-27 -1.96638802e-09]
 [-2.49102699e-32  2.24060399e-27  1.96638802e-09]
 [ 4.98205398e-33 -2.24062392e-27 -1.96638802e-09]]
stress =  [-5.79968432e-12 -5.79968432e-12 -1.53908342e-10 -1.37089620e-25
  4.18231953e-42  3.72528607e-57]
energy per atom =  -5.505374420591875
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0