element(s):
['Ag', 'Zr']
AFLOW prototype label:
AB_tP4_129_c_c
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4606', '1.9672889', '0.6114699', '0.13967166']
model name:
MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.5        0.6114699 ]
 [0.         0.5        0.13967166]]
spacegroup =  129
cell =  [[3.4606, 0, 0], [0, 3.4606, 0], [0, 0, 6.808]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:35:43      -18.357168        0.6190
BFGS:    1 16:35:43      -18.367308        0.5736
BFGS:    2 16:35:43      -18.411907        0.3039
BFGS:    3 16:35:43      -18.432285        0.1812
BFGS:    4 16:35:43      -18.434567        0.1949
BFGS:    5 16:35:43      -18.437208        0.1734
BFGS:    6 16:35:43      -18.440874        0.0931
BFGS:    7 16:35:43      -18.442116        0.0734
BFGS:    8 16:35:43      -18.442540        0.0866
BFGS:    9 16:35:43      -18.442985        0.1096
BFGS:   10 16:35:43      -18.444049        0.1354
BFGS:   11 16:35:43      -18.445752        0.1337
BFGS:   12 16:35:43      -18.447086        0.0788
BFGS:   13 16:35:43      -18.447731        0.0263
BFGS:   14 16:35:43      -18.447911        0.0129
BFGS:   15 16:35:43      -18.447922        0.0121
BFGS:   16 16:35:43      -18.447939        0.0080
BFGS:   17 16:35:43      -18.447946        0.0034
BFGS:   18 16:35:43      -18.447948        0.0007
BFGS:   19 16:35:43      -18.447949        0.0001
BFGS:   20 16:35:43      -18.447949        0.0000
BFGS:   21 16:35:43      -18.447949        0.0000
BFGS:   22 16:35:43      -18.447949        0.0000
Minimization converged after 22 steps.
Maximum force component: 5.850514281152338e-09 eV/Angstrom
Maximum stress component: 1.3500400937529764e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr']
basis =  [[8.89237967e-34 5.00000000e-01 6.02019297e-01]
 [5.00000000e-01 1.00000000e+00 3.97980703e-01]
 [1.20611363e-32 5.00000000e-01 1.35300064e-01]
 [5.00000000e-01 1.00000000e+00 8.64699936e-01]]
cellpar =  Cell([[3.5128652665444084, 5.285794802751409e-36, 9.168846754418925e-37], [2.1791885688904877e-36, 3.5128652665444084, -2.3667254146460564e-17], [-7.625677494069715e-37, -4.776471535757805e-17, 6.470703927404296]])
forces =  [[ 6.89478851e-46  4.31866691e-26 -5.85051428e-09]
 [-6.89478851e-46 -4.31866691e-26  5.85051428e-09]
 [ 4.00188992e-46  2.50665089e-26 -3.39576973e-09]
 [-4.00188992e-46 -2.50665089e-26  3.39576973e-09]]
stress =  [-1.35004009e-10 -1.35004009e-10 -9.75510294e-12 -1.82684150e-27
  1.35564959e-34  1.58409301e-51]
energy per atom =  -4.611987149407765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0