element(s):
['Ag', 'O']
AFLOW prototype label:
A2B_cP6_224_b_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8792']
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.   0.  ]]
spacegroup =  224
cell =  [[4.8792, 0, 0], [0, 4.8792, 0], [0, 0, 4.8792]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:04:32      -16.584051        0.1547
BFGS:    1 15:04:32      -16.585041        0.1438
BFGS:    2 15:04:32      -16.591159        0.0046
BFGS:    3 15:04:32      -16.591165        0.0001
BFGS:    4 15:04:32      -16.591165        0.0000
BFGS:    5 15:04:32      -16.591165        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.1967325886880492e-31 eV/Angstrom
Maximum stress component: 1.4955956086221023e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Ag', 'Ag', '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]
 [0.   0.   0.  ]
 [0.5  0.5  0.5 ]]
cellpar =  Cell([[4.854524109961883, -8.4634701754501e-34, 7.0002685672992806e-34], [-8.466477302794156e-34, 4.854524109961883, 1.5972085749499764e-19], [-1.5370030940524352e-34, 1.5972085749499593e-19, 4.854524109961883]])
forces =  [[ 7.97821726e-32  4.36308756e-32  1.43551885e-51]
 [ 2.42890702e-50 -1.19673259e-31 -3.93742313e-51]
 [-7.97821726e-32  1.39093765e-65 -1.15046629e-65]
 [-1.99455431e-32  9.97277157e-32  1.43297722e-32]
 [ 3.73978934e-32  3.73978934e-32  3.61512969e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.49559561e-13 -1.49559561e-13 -1.49559561e-13 -2.38688013e-29
  9.06279382e-64 -6.26537727e-63]
energy per atom =  -2.765194186934851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0