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_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
==== 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 13:48:10      -32.764040        0.9826
BFGS:    1 13:48:10      -32.826867        0.8333
BFGS:    2 13:48:10      -32.971707        0.3372
BFGS:    3 13:48:10      -33.000153        0.1254
BFGS:    4 13:48:10      -33.000655        0.1080
BFGS:    5 13:48:10      -33.002044        0.0590
BFGS:    6 13:48:10      -33.003098        0.0464
BFGS:    7 13:48:10      -33.003566        0.0218
BFGS:    8 13:48:10      -33.003637        0.0183
BFGS:    9 13:48:10      -33.003656        0.0189
BFGS:   10 13:48:10      -33.003696        0.0237
BFGS:   11 13:48:10      -33.003790        0.0295
BFGS:   12 13:48:10      -33.003985        0.0337
BFGS:   13 13:48:10      -33.004274        0.0296
BFGS:   14 13:48:10      -33.004489        0.0147
BFGS:   15 13:48:10      -33.004548        0.0043
BFGS:   16 13:48:10      -33.004557        0.0007
BFGS:   17 13:48:10      -33.004557        0.0001
BFGS:   18 13:48:10      -33.004557        0.0000
BFGS:   19 13:48:10      -33.004557        0.0000
BFGS:   20 13:48:10      -33.004557        0.0000
Minimization converged after 20 steps.
Maximum force component: 3.964301945125142e-10 eV/Angstrom
Maximum stress component: 1.2040444938315303e-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 0.00000000e+00 6.46731762e-01]
 [1.49757980e-34 0.00000000e+00 3.53268238e-01]
 [5.00000000e-01 5.00000000e-01 1.46731762e-01]
 [5.00000000e-01 5.00000000e-01 8.53268238e-01]]
cellpar =  Cell([[3.218630722053803, -4.654577649464206e-36, -3.640846107021915e-32], [-1.3756946756167189e-36, 3.2186307220538044, 3.224437748178256e-17], [-2.9692029403339848e-33, 1.1199418821626843e-16, 10.945574064053794]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.71931437e-33  4.05624395e-27  3.96430195e-10]
 [ 1.07539513e-43 -4.05623775e-27 -3.96430195e-10]
 [-1.07539513e-43  4.05623279e-27  3.96430195e-10]
 [ 1.07539513e-43 -4.05624147e-27 -3.96430195e-10]]
stress =  [5.31427326e-11 5.31427326e-11 1.20404449e-10 1.47314536e-25
 1.74936634e-34 2.17565283e-49]
energy per atom =  -5.5007595670747795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0