element(s):
['Ag', 'O']
AFLOW prototype label:
A2B_hP3_164_d_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:
['3.4707', '1.2934278', '0.72446215']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.72446215]
 [0.         0.         0.        ]]
spacegroup =  164
cell =  [[3.4707, 0, 0], [-1.73535, 3.0057143689147, 0], [0, 0, 4.4891]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:28:37       -8.841258        1.4640
BFGS:    1 11:28:37       -8.921796        1.2429
BFGS:    2 11:28:37       -9.082019        0.7042
BFGS:    3 11:28:37       -9.179178        0.5572
BFGS:    4 11:28:37       -9.199708        0.4372
BFGS:    5 11:28:37       -9.205427        0.3700
BFGS:    6 11:28:37       -9.215227        0.0752
BFGS:    7 11:28:37       -9.215475        0.0731
BFGS:    8 11:28:37       -9.216206        0.0991
BFGS:    9 11:28:37       -9.217262        0.1002
BFGS:   10 11:28:37       -9.218108        0.0596
BFGS:   11 11:28:37       -9.218372        0.0156
BFGS:   12 11:28:37       -9.218400        0.0023
BFGS:   13 11:28:37       -9.218401        0.0002
BFGS:   14 11:28:37       -9.218401        0.0000
BFGS:   15 11:28:37       -9.218401        0.0000
BFGS:   16 11:28:37       -9.218401        0.0000
Minimization converged after 16 steps.
Maximum force component: 2.084680983394094e-09 eV/Angstrom
Maximum stress component: 2.1566012325720538e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'O']
basis =  [[3.33333330e-01 6.66666670e-01 6.92904756e-01]
 [6.66666663e-01 3.33333337e-01 3.07095244e-01]
 [9.99999997e-01 3.33333345e-09 0.00000000e+00]]
cellpar =  Cell([[3.3492874189819655, -1.691508984956084e-17, -2.5771412851045544e-38], [-1.6746437094909827, 2.9005679894139975, -1.1327947568687076e-36], [-5.110418651003496e-37, 1.1229028613364066e-35, 4.264512159286522]])
forces =  [[-2.75221032e-31  1.90678724e-31 -2.08468098e-09]
 [ 2.71780769e-31 -1.90678724e-31  2.08468098e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.15660123e-10 -2.15660123e-10 -1.05095844e-10  6.64319184e-34
  1.15063458e-33 -9.20550956e-27]
energy per atom =  -3.072800445021924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0