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:
MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002
==== 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 14:37:11      -54.164351        1.5894
BFGS:    1 14:37:12      -54.268191        1.4587
BFGS:    2 14:37:12      -54.464540        1.1557
BFGS:    3 14:37:12      -54.613819        0.8309
BFGS:    4 14:37:12      -54.712676        0.4832
BFGS:    5 14:37:12      -54.757589        0.1115
BFGS:    6 14:37:12      -54.759995        0.0049
BFGS:    7 14:37:12      -54.760000        0.0000
BFGS:    8 14:37:12      -54.760000        0.0000
BFGS:    9 14:37:12      -54.760000        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.321676908141923e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.76807717e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.42752412e-51 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.404099951040866, 6.154637845464437e-33, -2.4661439437048605e-34], [7.181676221639749e-33, 4.404099951040866, -1.4493819353821261e-18], [1.6213152138125217e-34, -1.4493819353821269e-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 =  [-6.32167691e-15 -6.32167691e-15 -6.32167691e-15 -3.96211709e-32
 -7.24023994e-37 -2.35344065e-54]
energy per atom =  -6.845000000448753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0