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:
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
==== 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 20:57:42      -22.062608         0.646622
BFGS:    1 20:57:42      -22.080296         0.643013
BFGS:    2 20:57:42      -22.159226         0.633435
BFGS:    3 20:57:42      -22.221182         0.657420
BFGS:    4 20:57:42      -22.275290         0.670238
BFGS:    5 20:57:42      -22.309532         0.486397
BFGS:    6 20:57:42      -22.318062         0.350952
BFGS:    7 20:57:42      -22.340176         0.231276
BFGS:    8 20:57:42      -22.349236         0.142108
BFGS:    9 20:57:43      -22.350790         0.145494
BFGS:   10 20:57:43      -22.360764         0.134817
BFGS:   11 20:57:43      -22.363699         0.119511
BFGS:   12 20:57:43      -22.365012         0.057274
BFGS:   13 20:57:43      -22.365321         0.036620
BFGS:   14 20:57:43      -22.365720         0.027175
BFGS:   15 20:57:43      -22.365898         0.017968
BFGS:   16 20:57:43      -22.365933         0.004579
BFGS:   17 20:57:43      -22.365935         0.000517
BFGS:   18 20:57:43      -22.365935         0.000019
BFGS:   19 20:57:43      -22.365935         0.000002
BFGS:   20 20:57:44      -22.365935         0.000000
BFGS:   21 20:57:44      -22.365935         0.000000
Minimization converged after 21 steps.
Maximum force component: 6.862185125688924e-10 eV/Angstrom
Maximum stress component: 3.2359866693627683e-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 3.93895710e-33 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([[5.4201788008731855, 2.1992959349213522e-17, 1.6541400169149265e-38], [-2.7100894004365927, 4.694012534610055, 2.96443650620368e-38], [-6.4487408738057e-37, -2.0662060828884173e-36, 4.717987129804862]])
forces =  [[-1.69820717e-10 -6.89220141e-28  6.86218513e-10]
 [ 8.49103585e-11 -1.47069055e-10  6.86218513e-10]
 [ 8.49103585e-11  1.47069055e-10  6.86218513e-10]
 [-8.49103585e-11  1.47069055e-10 -6.86218513e-10]
 [ 1.69820717e-10  6.89065853e-28 -6.86218513e-10]
 [-8.49103585e-11 -1.47069055e-10 -6.86218513e-10]
 [ 8.07273747e-32 -1.44645429e-32  1.93845604e-32]
 [-2.33831016e-31  1.54288457e-31 -5.81536812e-32]]
stress =  [-3.23598667e-10 -3.23598667e-10  5.84352562e-11 -1.74170915e-46
  2.57068476e-33 -4.64142327e-26]
energy per atom =  -2.795741822543845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0