element(s):
['Ag']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.933', '1.6373338']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:36:50       -5.663348         0.528424
BFGS:    1 15:36:50       -5.673943         0.422157
BFGS:    2 15:36:50       -5.690853         0.054735
BFGS:    3 15:36:50       -5.691081         0.005970
BFGS:    4 15:36:50       -5.691083         0.003268
BFGS:    5 15:36:50       -5.691084         0.003331
BFGS:    6 15:36:50       -5.691085         0.001875
BFGS:    7 15:36:50       -5.691085         0.000603
BFGS:    8 15:36:50       -5.691085         0.000065
BFGS:    9 15:36:50       -5.691085         0.000004
BFGS:   10 15:36:50       -5.691085         0.000000
BFGS:   11 15:36:50       -5.691085         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.168906824952534e-33 eV/Angstrom
Maximum stress component: 2.67842256366878e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.8820341945209775, 6.522416095740731e-18, -3.3905967302259764e-36], [-1.4410170972604888, 2.4959148270305884, 6.569899274844082e-36], [1.2353231810256e-35, 1.5021608001364459e-35, 4.723727324908299]])
forces =  [[-2.16890682e-33  1.83387398e-33  6.13324531e-69]
 [ 2.16890682e-33 -1.83387398e-33 -6.13324531e-69]]
stress =  [ 1.73096210e-10  1.73096210e-10  2.67842256e-10 -3.48485429e-34
 -1.76767459e-45 -7.50848520e-26]
energy per atom =  -2.8455424118437755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0