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 12:16:21      -97.985843        15.802340
BFGS:    1 12:16:21      -99.996945        13.032002
BFGS:    2 12:16:21     -100.778548        10.578563
BFGS:    3 12:16:22     -101.493847         9.152132
BFGS:    4 12:16:22     -102.053694         7.781845
BFGS:    5 12:16:22     -102.525909         6.598105
BFGS:    6 12:16:22     -102.911815         5.502489
BFGS:    7 12:16:22     -103.221401         4.449178
BFGS:    8 12:16:23     -103.459416         3.417397
BFGS:    9 12:16:23     -103.632762         2.436694
BFGS:   10 12:16:23     -103.748230         1.511294
BFGS:   11 12:16:24     -103.814297         0.666715
BFGS:   12 12:16:24     -103.837373         0.217955
BFGS:   13 12:16:24     -103.838162         0.171541
BFGS:   14 12:16:24     -103.838635         0.084285
BFGS:   15 12:16:24     -103.838787         0.020045
BFGS:   16 12:16:25     -103.838795         0.001883
BFGS:   17 12:16:25     -103.838796         0.000203
BFGS:   18 12:16:25     -103.838796         0.000000
BFGS:   19 12:16:25     -103.838796         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0601506413398364e-09 eV/Angstrom
Maximum stress component: 2.1548617327486116e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', 'Zr', 'Zr']
basis =  [[1.95020528e-33 0.00000000e+00 3.13546196e-01]
 [0.00000000e+00 1.67735882e-34 6.86453804e-01]
 [5.00000000e-01 5.00000000e-01 8.13546196e-01]
 [5.00000000e-01 5.00000000e-01 1.86453804e-01]
 [0.00000000e+00 0.00000000e+00 2.79704937e-66]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.4445759344559, -1.4250554798401407e-36, -5.161515733451731e-32], [3.169287430276844e-35, 3.4445759344558993, 5.7849096706660955e-18], [-2.0443761700195988e-32, 2.0288669226655834e-18, 10.184555050273143]])
forces =  [[-1.69830706e-31 -2.10853126e-28 -1.06015064e-09]
 [-1.69830706e-31  2.10513465e-28  1.06015064e-09]
 [-2.12288382e-31 -2.10853126e-28 -1.06015064e-09]
 [-8.49153528e-32  2.10513465e-28  1.06015064e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.15486173e-11  2.15486173e-11  2.94564000e-12 -2.22313857e-27
 -7.02704334e-34  1.52653108e-49]
energy per atom =  -17.306465934594463
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0