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:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002
==== 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 13:46:09      -31.014556        0.6463
BFGS:    1 13:46:09      -31.040815        0.5404
BFGS:    2 13:46:09      -31.116423        0.2420
BFGS:    3 13:46:09      -31.122016        0.1890
BFGS:    4 13:46:09      -31.123068        0.1640
BFGS:    5 13:46:09      -31.124118        0.1389
BFGS:    6 13:46:09      -31.126883        0.0972
BFGS:    7 13:46:09      -31.130520        0.1458
BFGS:    8 13:46:09      -31.134283        0.1793
BFGS:    9 13:46:09      -31.136667        0.1756
BFGS:   10 13:46:09      -31.138462        0.1507
BFGS:   11 13:46:09      -31.140974        0.1043
BFGS:   12 13:46:09      -31.144187        0.0789
BFGS:   13 13:46:09      -31.146463        0.0459
BFGS:   14 13:46:09      -31.147122        0.0121
BFGS:   15 13:46:09      -31.147185        0.0026
BFGS:   16 13:46:09      -31.147188        0.0002
BFGS:   17 13:46:09      -31.147189        0.0001
BFGS:   18 13:46:09      -31.147189        0.0000
BFGS:   19 13:46:09      -31.147189        0.0000
BFGS:   20 13:46:09      -31.147189        0.0000
BFGS:   21 13:46:09      -31.147189        0.0000
Minimization converged after 21 steps.
Maximum force component: 1.548631854697558e-09 eV/Angstrom
Maximum stress component: 1.8032614218581345e-10 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]
 [0.00000000e+00 1.11613238e-32 6.59301424e-01]
 [0.00000000e+00 3.72044128e-33 3.40698576e-01]
 [5.00000000e-01 5.00000000e-01 1.59301424e-01]
 [5.00000000e-01 5.00000000e-01 8.40698576e-01]]
cellpar =  Cell([[3.3130348561398963, -3.5434170722610686e-36, -2.5465122097421555e-32], [-6.099872870847055e-36, 3.3130348561398977, -1.467430415510268e-17], [-3.2266304441639624e-32, -5.004922342082839e-17, 11.605545540332486]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.02090769e-32  6.67851601e-27 -1.54863185e-09]
 [-1.02090769e-32 -6.67850580e-27  1.54863185e-09]
 [-1.02090769e-32  6.67851091e-27 -1.54863185e-09]
 [-1.02090769e-32 -6.67851091e-27  1.54863185e-09]]
stress =  [ 1.25936545e-10  1.25936545e-10  1.80326142e-10  8.01605814e-26
 -1.60287227e-34 -8.01328591e-50]
energy per atom =  -5.191198094532285
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0