element(s):
['Ag', 'Zr']
AFLOW prototype label:
A2B_tI6_139_e_a
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:
['3.5383', '2.6155216', '0.32626347']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.         0.32626347]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[3.5383, 0, 0], [0, 3.5383, 0], [0, 0, 9.2545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:40      -97.985843        15.802340
BFGS:    1 17:12:40      -99.996945        13.032002
BFGS:    2 17:12:40     -100.778548        10.578563
BFGS:    3 17:12:40     -101.493847         9.152132
BFGS:    4 17:12:40     -102.053694         7.781845
BFGS:    5 17:12:40     -102.525909         6.598105
BFGS:    6 17:12:40     -102.911815         5.502489
BFGS:    7 17:12:40     -103.221401         4.449178
BFGS:    8 17:12:40     -103.459416         3.417397
BFGS:    9 17:12:40     -103.632762         2.436694
BFGS:   10 17:12:40     -103.748230         1.511294
BFGS:   11 17:12:40     -103.814297         0.666715
BFGS:   12 17:12:40     -103.837373         0.217955
BFGS:   13 17:12:40     -103.838162         0.171541
BFGS:   14 17:12:40     -103.838635         0.084285
BFGS:   15 17:12:40     -103.838787         0.020045
BFGS:   16 17:12:40     -103.838795         0.001883
BFGS:   17 17:12:40     -103.838796         0.000203
BFGS:   18 17:12:40     -103.838796         0.000000
BFGS:   19 17:12:40     -103.838796         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0602611748433007e-09 eV/Angstrom
Maximum stress component: 2.1542262487656667e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', 'Zr', 'Zr']
basis =  [[9.63787818e-35 0.00000000e+00 3.13546196e-01]
 [4.13503648e-34 0.00000000e+00 6.86453804e-01]
 [5.00000000e-01 5.00000000e-01 8.13546196e-01]
 [5.00000000e-01 5.00000000e-01 1.86453804e-01]
 [1.91282580e-83 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.444575934455898, -1.2270014112173848e-35, -8.718412578362065e-34], [2.3774090605896749e-35, 3.4445759344558997, -4.476084397956452e-17], [3.505228787175718e-32, -1.0875629286397626e-16, 10.184555050273138]])
forces =  [[-2.65360478e-32  1.13220533e-26 -1.06026117e-09]
 [ 2.12288382e-32 -1.13220533e-26  1.06026117e-09]
 [-6.36865146e-32  1.13220533e-26 -1.06026117e-09]
 [ 3.64911179e-42 -1.13219684e-26  1.06026117e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.15422625e-11  2.15422625e-11  2.93781961e-12 -3.23447151e-27
 -2.17838344e-32  1.19877207e-47]
energy per atom =  -17.306465934594474
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0