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_MendelevSunZhang_2019_CuZr__MO_609260676108_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 16:17:56      -33.038915         1.059463
BFGS:    1 16:17:56      -33.099359         0.914070
BFGS:    2 16:17:56      -33.235184         0.432277
BFGS:    3 16:17:56      -33.275949         0.341497
BFGS:    4 16:17:56      -33.277606         0.327830
BFGS:    5 16:17:56      -33.290494         0.157705
BFGS:    6 16:17:56      -33.295471         0.157227
BFGS:    7 16:17:56      -33.296273         0.160831
BFGS:    8 16:17:56      -33.305542         0.169671
BFGS:    9 16:17:56      -33.313607         0.183662
BFGS:   10 16:17:56      -33.319410         0.147129
BFGS:   11 16:17:56      -33.321784         0.060675
BFGS:   12 16:17:56      -33.322329         0.004138
BFGS:   13 16:17:56      -33.322336         0.000168
BFGS:   14 16:17:56      -33.322336         0.000008
BFGS:   15 16:17:56      -33.322336         0.000000
BFGS:   16 16:17:56      -33.322336         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.0687279299077255e-09 eV/Angstrom
Maximum stress component: 6.559268301186882e-11 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 6.44955765e-01]
 [4.35177413e-33 3.92997234e-33 3.55044235e-01]
 [5.00000000e-01 5.00000000e-01 1.44955765e-01]
 [5.00000000e-01 5.00000000e-01 8.55044235e-01]]
cellpar =  Cell([[3.136396536934357, -1.2483774447464368e-36, 5.317179410620438e-32], [-6.65282352545987e-36, 3.1363965369343574, 3.113671832199842e-17], [-9.844543462299538e-52, 1.1778263254308214e-16, 11.608419690665803]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.43643201e-33  1.08436480e-26  1.06872793e-09]
 [ 4.83238401e-33 -1.08436456e-26 -1.06872793e-09]
 [-3.62428800e-33  1.08436456e-26  1.06872793e-09]
 [ 4.22833601e-33 -1.08436456e-26 -1.06872793e-09]]
stress =  [-9.58495261e-12 -9.58495261e-12  6.55926830e-11 -8.05888082e-27
  8.46362478e-35 -9.39651110e-51]
energy per atom =  -5.55372264502724
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0