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 15:56:20      -18.357168         0.619045
BFGS:    1 15:56:20      -18.367308         0.573607
BFGS:    2 15:56:20      -18.411907         0.303858
BFGS:    3 15:56:20      -18.432285         0.181234
BFGS:    4 15:56:20      -18.434567         0.194909
BFGS:    5 15:56:20      -18.437208         0.173356
BFGS:    6 15:56:20      -18.440874         0.093095
BFGS:    7 15:56:20      -18.442116         0.073371
BFGS:    8 15:56:20      -18.442540         0.086596
BFGS:    9 15:56:20      -18.442985         0.109571
BFGS:   10 15:56:20      -18.444049         0.135447
BFGS:   11 15:56:20      -18.445752         0.133703
BFGS:   12 15:56:20      -18.447086         0.078846
BFGS:   13 15:56:20      -18.447731         0.026323
BFGS:   14 15:56:20      -18.447911         0.012894
BFGS:   15 15:56:20      -18.447922         0.012095
BFGS:   16 15:56:20      -18.447939         0.007959
BFGS:   17 15:56:20      -18.447946         0.003380
BFGS:   18 15:56:20      -18.447948         0.000658
BFGS:   19 15:56:20      -18.447949         0.000108
BFGS:   20 15:56:20      -18.447949         0.000010
BFGS:   21 15:56:20      -18.447949         0.000000
BFGS:   22 15:56:20      -18.447949         0.000000
Minimization converged after 22 steps.
Maximum force component: 5.8505144786939745e-09 eV/Angstrom
Maximum stress component: 1.350039942548384e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr']
basis =  [[3.29582755e-33 5.00000000e-01 6.02019297e-01]
 [5.00000000e-01 1.00000000e+00 3.97980703e-01]
 [0.00000000e+00 5.00000000e-01 1.35300064e-01]
 [5.00000000e-01 1.00000000e+00 8.64699936e-01]]
cellpar =  Cell([[3.512865266544407, 6.419529101836923e-36, -8.546035555721395e-37], [-1.8262999989734948e-36, 3.5128652665444084, -6.967839679803358e-18], [-1.2966697341391945e-39, -1.36310176796928e-17, 6.470703927404298]])
forces =  [[ 1.17238946e-48  1.23245318e-26 -5.85051448e-09]
 [-5.41242593e-33 -1.23245210e-26  5.85051448e-09]
 [ 6.80483195e-49  7.15345990e-27 -3.39578010e-09]
 [-6.80483195e-49 -7.15346261e-27  3.39578010e-09]]
stress =  [-1.35003994e-10 -1.35003994e-10 -9.75483807e-12 -4.33927463e-27
 -1.35564959e-34 -3.76268347e-51]
energy per atom =  -4.611987149407767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0