element(s):
['O', 'Ta']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5386']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ta']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.5386, 0, 0], [0, 4.5386, 0], [0, 0, 4.5386]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:53:45      -54.164351         1.589415
BFGS:    1 16:53:45      -54.268191         1.458723
BFGS:    2 16:53:45      -54.464540         1.155726
BFGS:    3 16:53:46      -54.613819         0.830938
BFGS:    4 16:53:46      -54.712676         0.483245
BFGS:    5 16:53:46      -54.757589         0.111481
BFGS:    6 16:53:47      -54.759995         0.004871
BFGS:    7 16:53:47      -54.760000         0.000046
BFGS:    8 16:53:47      -54.760000         0.000000
BFGS:    9 16:53:48      -54.760000         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.962665017634007e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.55361543e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.74607736e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.10723087e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.404099951040866, -3.019721753886555e-33, 1.4671752350976583e-32], [-1.802587458900575e-33, 4.404099951040866, 5.653776827300731e-18], [-8.997049453861314e-33, 5.653776827300752e-18, 4.404099951040866]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.96266502e-15 -4.96266502e-15 -4.96266502e-15  5.74990189e-31
  3.12479520e-36 -4.12589376e-53]
energy per atom =  -6.845000000448748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0