element(s):
['Ag', '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:
['3.2465', '3.7809025', '0.66497766']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.66497766]]
spacegroup =  139
cell =  [[3.2465, 0, 0], [0, 3.2465, 0], [0, 0, 12.2747]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:53     -102.169866        61.953624
BFGS:    1 15:48:53     -114.977155        33.177777
BFGS:    2 15:48:53     -118.593786        28.449229
BFGS:    3 15:48:53     -123.197994        16.569802
BFGS:    4 15:48:53     -125.288669        11.185403
BFGS:    5 15:48:53     -126.622665         6.472399
BFGS:    6 15:48:53     -127.313502         2.908723
BFGS:    7 15:48:53     -127.582173         0.870518
BFGS:    8 15:48:53     -127.625644         1.225372
BFGS:    9 15:48:53     -127.651853         1.167281
BFGS:   10 15:48:53     -127.680648         0.725273
BFGS:   11 15:48:53     -127.692587         0.289119
BFGS:   12 15:48:53     -127.694316         0.063014
BFGS:   13 15:48:53     -127.694451         0.004044
BFGS:   14 15:48:53     -127.694451         0.000540
BFGS:   15 15:48:53     -127.694451         0.000008
BFGS:   16 15:48:53     -127.694451         0.000000
BFGS:   17 15:48:53     -127.694451         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.154564954641726e-09 eV/Angstrom
Maximum stress component: 9.290126793617176e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.85156709e-33 1.42120615e-32 6.51883584e-01]
 [0.00000000e+00 0.00000000e+00 3.48116416e-01]
 [5.00000000e-01 5.00000000e-01 1.51883584e-01]
 [5.00000000e-01 5.00000000e-01 8.48116416e-01]]
cellpar =  Cell([[3.4691523505012776, -3.2928551142385323e-35, 4.101977447063174e-32], [1.2224527547133858e-34, 3.4691523505012785, 9.704857057822065e-17], [-1.0490260899763262e-32, 3.4754366839719153e-16, 12.004832445161892]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.00890101e-42  3.34248683e-26  1.15456495e-09]
 [ 1.00890101e-42 -3.34250393e-26 -1.15456495e-09]
 [-1.00890101e-42  3.34251462e-26  1.15456495e-09]
 [ 1.00890101e-42 -3.34251676e-26 -1.15456495e-09]]
stress =  [ 6.06489232e-11  6.06489232e-11  9.29012679e-11 -1.00690389e-25
  9.47089370e-33 -9.38015427e-48]
energy per atom =  -21.28240855250569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0