element(s):
['Ag', 'O']
AFLOW prototype label:
A2B3_cP10_224_b_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1886']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'O']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.5  0.5 ]]
spacegroup =  224
cell =  [[5.1886, 0, 0], [0, 5.1886, 0], [0, 0, 5.1886]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:06:56      -35.279399        1.0152
BFGS:    1 16:06:56      -35.322624        0.9715
BFGS:    2 16:06:56      -35.456671        0.8140
BFGS:    3 16:06:56      -35.566300        0.6458
BFGS:    4 16:06:56      -35.649860        0.4664
BFGS:    5 16:06:56      -35.705619        0.2751
BFGS:    6 16:06:56      -35.731766        0.0714
BFGS:    7 16:06:56      -35.733573        0.0030
BFGS:    8 16:06:56      -35.733576        0.0000
BFGS:    9 16:06:56      -35.733576        0.0000
BFGS:   10 16:06:56      -35.733576        0.0000
Minimization converged after 10 steps.
Maximum force component: 4.972414333915468e-31 eV/Angstrom
Maximum stress component: 5.556623487137853e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [1.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]
 [1.   0.5  1.  ]
 [0.5  1.   1.  ]
 [1.   1.   0.5 ]]
cellpar =  Cell([[5.042627211977115, 2.076947154942411e-33, 2.7514249306357574e-33], [-4.8208266642605905e-33, 5.042627211977115, -2.8927117576174527e-17], [6.71467052813953e-33, -2.892711757617453e-17, 5.042627211977115]])
forces =  [[-3.31494289e-31  1.65747144e-31  3.31494289e-31]
 [ 4.97241433e-31 -1.65747144e-31  1.65747144e-31]
 [-1.24310358e-31  8.28735722e-32  8.28735722e-32]
 [-1.65747144e-31 -4.97241433e-31  1.65747144e-31]
 [ 4.75370211e-64 -4.97241433e-31  2.85243402e-48]
 [-6.22503450e-64 -4.14367861e-32 -4.97241433e-31]
 [-4.97241433e-31 -8.28735722e-32  4.75405670e-49]
 [-3.31494289e-31 -8.28735722e-32  4.75405670e-49]
 [-3.22569203e-64 -1.24310358e-31 -3.31494289e-31]
 [-8.28735722e-32 -3.31494289e-31  1.90162268e-48]]
stress =  [-5.55662349e-15 -5.55662349e-15 -5.55662349e-15  2.94046198e-30
  1.33677432e-63  1.13039569e-64]
energy per atom =  -3.5733575749936115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0