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 16:37:17       -8.841258         1.464000
BFGS:    1 16:37:17       -8.921796         1.242911
BFGS:    2 16:37:17       -9.082019         0.704215
BFGS:    3 16:37:17       -9.179178         0.557241
BFGS:    4 16:37:17       -9.199708         0.437207
BFGS:    5 16:37:17       -9.205427         0.370041
BFGS:    6 16:37:17       -9.215227         0.075200
BFGS:    7 16:37:17       -9.215475         0.073143
BFGS:    8 16:37:17       -9.216206         0.099127
BFGS:    9 16:37:17       -9.217262         0.100166
BFGS:   10 16:37:17       -9.218108         0.059569
BFGS:   11 16:37:17       -9.218372         0.015558
BFGS:   12 16:37:17       -9.218400         0.002268
BFGS:   13 16:37:17       -9.218401         0.000168
BFGS:   14 16:37:17       -9.218401         0.000016
BFGS:   15 16:37:17       -9.218401         0.000000
BFGS:   16 16:37:17       -9.218401         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.084676986591205e-09 eV/Angstrom
Maximum stress component: 2.156604200470985e-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 5.83702430e-61]]
cellpar =  Cell([[3.3492874189819672, -2.0048843653897787e-17, 1.664096315115544e-36], [-1.6746437094909836, 2.900567989413997, -1.4969402071297419e-37], [2.4608449181880605e-36, 3.165824591663574e-36, 4.264512159286518]])
forces =  [[-9.90795714e-31  5.72036172e-31 -2.08467699e-09]
 [ 9.90795714e-31 -5.72036172e-31  2.08467699e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.15660420e-10 -2.15660420e-10 -1.05096563e-10  4.93448981e-46
  2.83575907e-46 -4.82861484e-27]
energy per atom =  -3.0728004450219237
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0