element(s):
['Ag']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1492']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:42      -11.346727        0.5148
BFGS:    1 16:46:42      -11.357516        0.4631
BFGS:    2 16:46:42      -11.398890        0.0787
BFGS:    3 16:46:42      -11.399990        0.0075
BFGS:    4 16:46:42      -11.400000        0.0001
BFGS:    5 16:46:42      -11.400000        0.0000
BFGS:    6 16:46:42      -11.400000        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4808647115091097e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.88816661e-34]]
cellpar =  Cell([[4.08000000260146, 1.345747242636707e-32, -2.8459101566588047e-33], [1.5778848839747976e-32, 4.08000000260146, 1.1325995187371196e-17], [2.5786918970574405e-33, 1.1325995187371195e-17, 4.08000000260146]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.48086471e-13 -1.48086471e-13 -1.48086471e-13  4.74242920e-31
  6.87105795e-63 -3.79882276e-62]
energy per atom =  -2.8500000000002066
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0