element(s):
['Ag', 'O']
AFLOW prototype label:
A3B_hP8_162_k_c
Parameter names:
['a', 'c/a', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4927', '0.90287108', '0.69263322', '0.72688523']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'O']
representative atom coordinates =  [[0.30736678 0.         0.72688523]
 [0.33333333 0.66666667 0.        ]]
spacegroup =  162
cell =  [[5.4927, 0, 0], [-2.74635, 4.7568177353668, 0], [0, 0, 4.9592]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:44:57      -22.062608        0.6466
BFGS:    1 15:44:57      -22.080296        0.6430
BFGS:    2 15:44:57      -22.159226        0.6334
BFGS:    3 15:44:57      -22.221182        0.6574
BFGS:    4 15:44:57      -22.275290        0.6702
BFGS:    5 15:44:57      -22.309532        0.4864
BFGS:    6 15:44:57      -22.318062        0.3510
BFGS:    7 15:44:57      -22.340176        0.2313
BFGS:    8 15:44:57      -22.349236        0.1421
BFGS:    9 15:44:57      -22.350790        0.1455
BFGS:   10 15:44:57      -22.360764        0.1348
BFGS:   11 15:44:57      -22.363699        0.1195
BFGS:   12 15:44:57      -22.365012        0.0573
BFGS:   13 15:44:57      -22.365321        0.0366
BFGS:   14 15:44:57      -22.365720        0.0272
BFGS:   15 15:44:57      -22.365898        0.0180
BFGS:   16 15:44:57      -22.365933        0.0046
BFGS:   17 15:44:57      -22.365935        0.0005
BFGS:   18 15:44:57      -22.365935        0.0000
BFGS:   19 15:44:57      -22.365935        0.0000
BFGS:   20 15:44:57      -22.365935        0.0000
BFGS:   21 15:44:57      -22.365935        0.0000
Minimization converged after 21 steps.
Maximum force component: 6.861896398313583e-10 eV/Angstrom
Maximum stress component: 3.2360716014557867e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', 'Ag', 'Ag', 'O', 'O']
basis =  [[3.09064103e-01 0.00000000e+00 7.16125152e-01]
 [9.99999995e-01 3.09064108e-01 7.16125152e-01]
 [6.90935887e-01 6.90935892e-01 7.16125152e-01]
 [9.99999995e-01 6.90935892e-01 2.83874848e-01]
 [6.90935887e-01 0.00000000e+00 2.83874848e-01]
 [3.09064103e-01 3.09064108e-01 2.83874848e-01]
 [3.33333328e-01 6.66666667e-01 8.95485582e-17]
 [6.66666662e-01 3.33333333e-01 8.95485582e-17]]
cellpar =  Cell([[5.420178800873159, 1.6881626467935194e-17, -6.934368450068114e-39], [-2.7100894004365794, 4.69401253461003, -1.0773487432362073e-38], [9.152530251071319e-38, -1.7167342811364948e-37, 4.7179871298048806]])
forces =  [[-1.69833221e-10 -5.28806306e-28  6.86189640e-10]
 [ 8.49166106e-11 -1.47079884e-10  6.86189640e-10]
 [ 8.49166106e-11  1.47079884e-10  6.86189640e-10]
 [-8.49166106e-11  1.47079884e-10 -6.86189640e-10]
 [ 1.69833221e-10  5.28806306e-28 -6.86189640e-10]
 [-8.49166106e-11 -1.47079884e-10 -6.86189640e-10]
 [ 4.45392412e-32 -7.71442287e-32 -7.75382416e-32]
 [ 1.12813645e-69 -2.11603837e-69  5.81536812e-32]]
stress =  [-3.23607160e-10 -3.23607160e-10  5.84382895e-11  1.03892988e-32
  6.24224937e-48 -1.84115576e-26]
energy per atom =  -2.7957418225438433
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0