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_001
==== 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 15:49:12      -31.014556         0.646259
BFGS:    1 15:49:12      -31.040815         0.540421
BFGS:    2 15:49:12      -31.116423         0.242028
BFGS:    3 15:49:12      -31.122016         0.188975
BFGS:    4 15:49:12      -31.123068         0.164012
BFGS:    5 15:49:12      -31.124118         0.138940
BFGS:    6 15:49:12      -31.126883         0.097186
BFGS:    7 15:49:12      -31.130520         0.145774
BFGS:    8 15:49:12      -31.134283         0.179281
BFGS:    9 15:49:12      -31.136667         0.175557
BFGS:   10 15:49:12      -31.138462         0.150732
BFGS:   11 15:49:12      -31.140974         0.104279
BFGS:   12 15:49:12      -31.144187         0.078938
BFGS:   13 15:49:12      -31.146463         0.045874
BFGS:   14 15:49:12      -31.147122         0.012071
BFGS:   15 15:49:12      -31.147185         0.002619
BFGS:   16 15:49:12      -31.147188         0.000230
BFGS:   17 15:49:12      -31.147189         0.000126
BFGS:   18 15:49:12      -31.147189         0.000026
BFGS:   19 15:49:12      -31.147189         0.000002
BFGS:   20 15:49:12      -31.147189         0.000000
BFGS:   21 15:49:12      -31.147189         0.000000
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