element(s):
['Ta']
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:
['4.2656']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:57      -31.172137         0.925769
BFGS:    1 15:33:57      -31.203624         0.662895
BFGS:    2 15:33:57      -31.238250         0.038216
BFGS:    3 15:33:57      -31.238372         0.001721
BFGS:    4 15:33:57      -31.238372         0.000005
BFGS:    5 15:33:57      -31.238372         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.034488404233894e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.31754705828953, -3.593508186547427e-104, -5.794430559284268e-52], [-2.579362821909944e-53, 4.31754705828953, 1.8054963979233387e-52], [2.28846991320231e-52, 1.4182361430556955e-52, 4.31754705828953]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.03448840e-11 -3.03448840e-11 -3.03448840e-11 -7.59322736e-27
 -6.09697075e-79  5.97621740e-80]
energy per atom =  -7.809593015345873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0